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{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=6",
"previous": "https://mitotox.org/api/compounds/list?format=api&page=4",
"results": [
{
"compound_ID": "D0419",
"name": "benzbromarone",
"synonyms": "benzbromarone; 3562-84-3; Benzbromaron; Desuric; Urinorm; Normurat; Uricovac; Minuric; Exurate; Hipurik; Azubromaron; Narcaricin; L 2214-Labaz; Uroleap (TN); Harolan; MJ 10061; Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-; 3,5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone; 2-Ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran; L 2214; Benzbromaronum [INN-Latin]; Benzobromarona [INN-Spanish]; NSC 85433; (3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone; Benzbromarone [USAN:INN:BAN]; L-2214; L2214-Labaz; UNII-4POG0RL69O; NSC85433; KETONE, 3,5-DIBROMO-4-HYDROXYPHENYL 2-ETHYL-3-BENZOFURANYL; C17H12Br2O3; L2214; EINECS 222-630-7; BRN 0273668; 4POG0RL69O; 3-(3,5-Dibromo-4-hydroxybenzoyl)-2-ethylbenzofuran; CPD000058310; Benzofuran, 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-; MLS000028522; MLS000737128; CHEBI:3023; CHEMBL388590; Besuric; (2-Ethyl-3-benzofuranyl)-(3,5-dibrom-4-hydroxyphenyl)keton; (3,5-Dibromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone; WHQCHUCQKNIQEC-UHFFFAOYSA-N; ML054; NSC-85433; Benzbromarone, 98%; NCGC00013895-08; Benzbromaronum; Benzobromarona; 3, 5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone; 3-[3,5-DIBROMO-4-HYDROXYBENZOYL]-2-ETHYLBENZOFURAN; Acifugan; SMR000058310; CAS-3562-84-3; (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone; DSSTox_CID_2652; DSSTox_RID_76675; DSSTox_GSID_22652; Max-uric; 1507-97-7; SR-01000003082; 3,5-dibromo-4-hydroxyphenyl 2-ethylbenzo[b]furan-3-yl ketone; Benzbromarone,(S); NCI85433; Prestwick_709; Benzbromarone(USAN); TPDI; 3,5-Dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl Ketone; (3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone; Opera_ID_1282; Prestwick0_000370; Prestwick1_000370; Prestwick2_000370; Prestwick3_000370; cid_2333; NCIStruc1_001498; NCIStruc2_001681; Oprea1_140235; SCHEMBL48993; BSPBio_000499; MLS001074105; MLS001424143; 2-Ethyl-3-(3,5-dibromo-4-hydroxybenzoyl)benzofuran; SPBio_002420; BPBio1_000549; DTXSID4022652; CTK8F7960; AOB1168; Benzbromarone, analytical standard; Benzbromarone (JP17/USAN/INN); HMS1569I21; HMS2052K05; HMS2093J04; HMS2096I21; HMS2230D20; HMS3394K05; HMS3652H15; HMS3713I21; HMS3744G15; Pharmakon1600-01505971; ZINC608205; BCP07515; EX-A1131; HY-B1135; Tox21_110041; (3,5-dibromo-4-hydroxy-phenyl)-(2-ethylbenzofuran-3-yl)methanone; BDBM50158460; CCG-37198; MFCD00078962; NCGC00013895; NSC759281; s4221; SBB057006; Benzbromarone 1.0 mg/ml in Methanol; AKOS015895856; Tox21_110041_1; AC-6162; ACN-049975; API0001617; CS-4740; DB12319; KS-1292; MCULE-5907152599; NC00334; NSC-759281; KS-0000108Y; NCGC00013895-01; NCGC00013895-02; NCGC00013895-03; NCGC00013895-04; NCGC00013895-05; NCGC00013895-06; NCGC00013895-07; NCGC00013895-09; NCGC00022066-04; AK468672; H503; LS-87131; MJ-10061; NCI60_041884; SAM001246877; SC-09288; SC-27292; SC-36260; SBI-0055383.P002; AM20040270; B4099; FT-0083530; FT-0602164; ST50993903; SW196858-4; UNM000001228903; D01056; 562B843; A822914; Q410435; SR-01000003082-5; SR-01000003082-6; BRD-K11717138-001-03-0; BRD-K11717138-001-16-2; Ketone,5-dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl; Benzbromarone, certified reference material, TraceCERT(R); 2,6-dibromo-4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenol; Benzbromarone, European Pharmacopoeia (EP) Reference Standard; Methanone,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-; (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-3-benzofuranyl)methanone; (3,5-Dibromo-4-hydroxyphenyl)-(2-ethylbenzofuran-3-yl)methanone; (3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone #; 5,10,15-Triphenyl-10,15-dihydro-5H -diindolo[3,2-a:3',2'-c]carbazole; Methanone, (3, 5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-; [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone; 879713-04-9",
"trade_name": "",
"abbrev_name": "",
"description": "uricosuric agent; non-competitive inhibitor of xanthine oxidase; used in the treatment of gout",
"molecular_formula": "C17H12Br2O3",
"molecular_weight": "424.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2333",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M04AB03",
"group": "Drug",
"drug_type": "",
"target": [
"T026",
"T032",
"T408"
],
"function": [
"F0105",
"F0108",
"F02010103",
"F02010201",
"F020103",
"F02060101",
"F02060201",
"F0303",
"F05",
"F0701",
"F070102"
],
"references": [
"RC00222",
"RC00223",
"RC00224",
"RC00225",
"RC00226",
"RC00259",
"RC00260",
"RC00261",
"RC00262",
"RC00263",
"RC00264",
"RC00265",
"RC00266",
"RC00299",
"RC00300",
"RC00301",
"RC00302",
"RC00303",
"RC00304",
"RC00305",
"RC00306",
"RC00335",
"RC00336",
"RC00337",
"RC00338",
"RC00339",
"RC00340",
"RC00341",
"RC00364",
"RC00365",
"RC00366",
"RC00367",
"RC00368",
"RC00381",
"RC00386",
"RC00389",
"RC00399",
"RC00400",
"RC00401",
"RC00402",
"RC00415",
"RC00416",
"RC00417",
"RC00426",
"RC00431",
"RC00438",
"RC00439",
"RC00927",
"RC00977",
"RC01796",
"RC02417",
"RC03038"
]
},
{
"compound_ID": "D0420",
"name": "Benzofuran",
"synonyms": "BENZOFURAN; 2,3-Benzofuran; Coumarone; 271-89-6; 1-Benzofuran; Benzo[b]furan; Cumarone; Benzofurfuran; Benzo(b)furan; 1-Oxindene; Coumaron; 1-Oxidene; NCI-C56166; Benzofuran (IUPAC); Cumaron; benzo[b]furane; CCRIS 2384; UNII-LK6946W774; HSDB 4173; NSC 1255; EINECS 205-982-6; benzfuran; BRN 0107704; AI3-17613; CHEMBL363614; CHEBI:35260; IANQTJSKSUMEQM-UHFFFAOYSA-N; MFCD00005847; LK6946W774; NCGC00091088-05; BZF; 2,3-Benzofuran, 99.5%; bezofuran; 1-Oxaindene; 1-Benzofuran #; PubChem7003; DSSTox_CID_141; ACMC-1CR9M; 2,3-Benzofuran, 99%; SCHEMBL5564; DSSTox_RID_75394; DSSTox_GSID_20141; WLN: T56 BOJ; 5-17-02-00003 (Beilstein Handbook Reference); MLS002454357; DTXSID6020141; CTK1A2129; NSC1255; HMS2268K20; LS-25; KS-00000W6C; NSC-1255; ZINC1591814; Tox21_400054; 2,3-Benzofuran, analytical standard; ANW-26149; BDBM50167940; SBB060607; AKOS000121520; AM84862; DB04179; MCULE-3934334695; PS-5764; RTR-012243; NCGC00091088-01; NCGC00091088-02; NCGC00091088-03; NCGC00091088-04; NCGC00091088-06; BR-46635; CAS-271-89-6; SC-03045; SMR000112279; DB-047175; ST2412637; B0060; FT-0609496; FT-0660665; ST51046756; C14512; M-6414; 10195-EP2269978A2; 10195-EP2269985A2; 10195-EP2269991A2; 10195-EP2269992A1; 10195-EP2270010A1; 10195-EP2272832A1; 10195-EP2272972A1; 10195-EP2272973A1; 10195-EP2275401A1; 10195-EP2277858A1; 10195-EP2277872A1; 10195-EP2277874A1; 10195-EP2280000A1; 10195-EP2281563A1; 10195-EP2281818A1; 10195-EP2284150A2; 10195-EP2284151A2; 10195-EP2284152A2; 10195-EP2284153A2; 10195-EP2284155A2; 10195-EP2284156A2; 10195-EP2284157A1; 10195-EP2284164A2; 10195-EP2284174A1; 10195-EP2287140A2; 10195-EP2287148A2; 10195-EP2287150A2; 10195-EP2289871A1; 10195-EP2292586A2; 10195-EP2292590A2; 10195-EP2292592A1; 10195-EP2292593A2; 10195-EP2292604A2; 10195-EP2292611A1; 10195-EP2292630A1; 10195-EP2295419A2; 10195-EP2295429A1; 10195-EP2295432A1; 10195-EP2295433A2; 10195-EP2295503A1; 10195-EP2298732A1; 10195-EP2298766A1; 10195-EP2298767A1; 10195-EP2298770A1; 10195-EP2301536A1; 10195-EP2301538A1; 10195-EP2301912A2; 10195-EP2301913A1; 10195-EP2301914A1; 10195-EP2301916A2; 10195-EP2301923A1; 10195-EP2305219A1; 10195-EP2305637A2; 10195-EP2305648A1; 10195-EP2305651A1; 10195-EP2305695A2; 10195-EP2305696A2; 10195-EP2305697A2; 10195-EP2305698A2; 10195-EP2308510A1; 10195-EP2308562A2; 10195-EP2308832A1; 10195-EP2308840A1; 10195-EP2308849A1; 10195-EP2308850A1; 10195-EP2308854A1; 10195-EP2308863A1; 10195-EP2311455A1; 10195-EP2311796A1; 10195-EP2311797A1; 10195-EP2311798A1; 10195-EP2311799A1; 10195-EP2311825A1; 10195-EP2311842A2; 10195-EP2314558A1; 10195-EP2314575A1; 10195-EP2314587A1; 10195-EP2316452A1; 10195-EP2316459A1; 10195-EP2371811A2; 10195-EP2371812A1; 10195-EP2371831A1; 29075-EP2270505A1; 29075-EP2281815A1; 29075-EP2305640A2; 29075-EP2311842A2; 80096-EP2272517A1; 80096-EP2305250A1; 103410-EP2270101A1; 103410-EP2301924A1; A818947; Q410089; J-640079; J-800081; W-107126; InChI=1/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6",
"trade_name": "",
"abbrev_name": "",
"description": "heterocyclic compound consisting of fused benzene and furan rings",
"molecular_formula": "C8H6O",
"molecular_weight": "118.13",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9223",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T408"
],
"function": [
"F0105",
"F0108",
"F02010103",
"F02010201",
"F02060101",
"F02060201",
"F0303",
"F05",
"F0701",
"F070102"
],
"references": [
"RC00237",
"RC00238",
"RC00239",
"RC00240",
"RC00241",
"RC00267",
"RC00268",
"RC00269",
"RC00270",
"RC00271",
"RC00272",
"RC00273",
"RC00274",
"RC00307",
"RC00308",
"RC00309",
"RC00310",
"RC00311",
"RC00312",
"RC00313",
"RC00314",
"RC00342",
"RC00343",
"RC00344",
"RC00345",
"RC00346",
"RC00347",
"RC00369",
"RC00370",
"RC00371",
"RC00372",
"RC00373",
"RC00383",
"RC00406",
"RC00407",
"RC00408",
"RC00421",
"RC00422",
"RC00423",
"RC00428",
"RC00433",
"RC00442",
"RC00443"
]
},
{
"compound_ID": "D0421",
"name": "2‐Butylbenzofuran",
"synonyms": "2-Butylbenzofuran; 4265-27-4; 2-Butyl-1-benzofuran; Benzofuran, 2-butyl-; 2-Butyl-benzofuran; 2-n-Butylbenzo[b]furan; 2-butyl benzofuran; 2-n-Butylbenzofuran; 2-butylbenzo[b]furan; OVJKFJDEVKABNF-UHFFFAOYSA-N; butylbenzofuran; 2-n-Butylbezofuran; Butyl-2-benzofuran; EINECS 224-250-7; 2-n-butylbenzofurane; 2-n-butyl-benzofuran; 2-butyl benzo[b]furan; ACMC-1ANWT; 2-Butyl-1-benzofuran #; SCHEMBL1287509; CTK1D8137; OVJKFJDEVKABNF-UHFFFAOYSA-; DTXSID90195378; ZINC2141025; ANW-29855; MFCD00005851; AKOS009031452; MCULE-3407406765; NE10411; RTC-063842; AC-18725; AS-56882; SC-17544; DB-050954; TC-063842; FT-0611635; ST24032425; ST50407981; A825975; W-106267; Z1250132589; InChI=1/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H14O",
"molecular_weight": "174.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "77951",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T026",
"T032",
"T408"
],
"function": [
"F0105",
"F0108",
"F02010103",
"F02010201",
"F02060101",
"F02060201",
"F0303",
"F05",
"F0701",
"F070102"
],
"references": [
"RC00242",
"RC00243",
"RC00244",
"RC00245",
"RC00246",
"RC00275",
"RC00276",
"RC00277",
"RC00278",
"RC00279",
"RC00280",
"RC00281",
"RC00282",
"RC00315",
"RC00316",
"RC00317",
"RC00318",
"RC00319",
"RC00320",
"RC00321",
"RC00322",
"RC00348",
"RC00349",
"RC00350",
"RC00351",
"RC00352",
"RC00353",
"RC00374",
"RC00375",
"RC00376",
"RC00377",
"RC00378",
"RC00382",
"RC00387",
"RC00391",
"RC00403",
"RC00404",
"RC00405",
"RC00418",
"RC00419",
"RC00420",
"RC00427",
"RC00432",
"RC00440",
"RC00441"
]
},
{
"compound_ID": "D0422",
"name": "Clotrimazole",
"synonyms": "clotrimazole; 23593-75-1; Lotrimin; Canesten; Mycelex; Mycosporin; Clotrimazol; Empecid; Mykosporin; Gyne lotrimin; Chlotrimazole; Trimysten; 1-(o-Chlorotrityl)imidazole; Mycelex G; Rimazole; Mycelex 7; Tibatin; Mono-baycuten; Lotrimin AF Cream; Mycelex Troches; Gyne-Lotrimin; Lotrimin AF Solution; Mycelex OTC; Canestine; Pedisafe; Veltrim; Gynix; Lotrimin Af; Trivagizole 3; Desamix F; Mycelex-G; Fem Care; Gyne-Lotrimin 3; Mycelex-7; Clotrimazolum; Monobaycuten; (Chlorotrityl)imidazole; Canifug; BAY b 5097; 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole; Lotrimax; Lotrimin AF Jock-Itch Cream; Mycelax; Mycofug; Mycelex-7 Combination Pack; BAY 5097; Gyne-Lotrimin Combination Pack; 1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole; Gyne-Lotrimin 3 Combination Pack; Bay-B 5097; FB 5097; Lotrimin (TN); Mycelex (TN); Clotrimazol [INN-Spanish]; Clotrimazolum [INN-Latin]; 1-(o-Chlorophenyldiphenylmethyl)imidazole; (2-Chlorophenyl)diphenyl-1-imidazolylmethane; Diphenyl(2-chlorophenyl)(1-imidazolyl)methane; Diphenyl-(2-chlorophenyl)-1-imidazolylmethane; 1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole; NSC 257473; 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole; 1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-; Mycelex: MycosporinRimazole; DRG-0072; Bay b 9057; Prestwick_120; B 5097; UNII-G07GZ97H65; Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane; CCRIS 6245; Clotrimazole(Canesten); Methane, bis-phenyl-(2-chlorophenyl)-1-imidazolyl-; HSDB 3266; 1-[(2-chlorophenyl)-diphenylmethyl]imidazole; Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan; EINECS 245-764-8; Lopac-C-6019; NSC257473; 1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole; CHEMBL104; 1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-; BRN 0622318; GNF-Pf-3499; MLS000028502; CHEBI:3764; 1-((o-Chloro-phenyl)diphenylmethyl)imidazole; 1-[(2-chlorophenyl)-diphenyl-methyl]imidazole; VNFPBHJOKIVQEB-UHFFFAOYSA-N; G07GZ97H65; Bis-fenil-(2-clorofenil)-1-imidazolil-metano [Italian]; Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan [German]; NCGC00015251-02; Clotrimaderm; Klotrimazole; Canestene; Clomatin; CPD000058306; Cutistad; Esparol; Kanesten; SMR000058306; Stiemazol; Nalbix; FemCare; Lotrimin Lotion; Canesten Cream; CAS-23593-75-1; Gino-Lotremine; Lotrimin Cream; Mycelex Cream; Myclo Solution; Mycelex Solution; Myclo Cream; DSSTox_CID_9871; Myclo-Gyne; Pan-Fungex; Canesten Solution; Lotrimin Solution; Neo-Zol Cream; Bis-phenyl-(2-chlorophenyl)-1-imidazoyl)methane; DSSTox_RID_78827; Mycelex Twin Pack; DSSTox_GSID_29871; CLT; Lotrimin AF Lotion; Imidazole, 1-(o-chloro-alpha,alpha-diphenylbenzyl)-; 1-(o-Chloro-.alpha.,.alpha.-diphenylbenzyl)imidazole; Myclo Spray Solution; clotrimeizol; Jidesheng; Canesten 1-Day Therapy; Canesten 3-Day Therapy; Canesten 6-Day Therapy; Canesten 1-Day Cream Combi-Pak; Canesten Combi-Pak 1-Day Therapy; Canesten Combi-Pak 3-Day Therapy; FB b 5097; SR-01000075771; Clotrimazole [USAN:INN:BAN:JAN]; chlortrimazole; clortrimazole; Otomax; Gyne-Lotrimin3; Bis-fenil-(2-clorofenil)-1-imidazolil-metano; Clotrimaderm Cream; Clotrimazole,(S); clotrimazole crystalline; Clotrimazole [USAN:USP:INN:BAN:JAN]; Spectrum_001343; Clotrimazole (Canesten); Prestwick0_000267; Prestwick1_000267; Prestwick2_000267; Prestwick3_000267; Spectrum2_000128; Spectrum3_000359; Spectrum4_000295; Spectrum5_000781; C 6019; NCIMech_000609; cid_2812; SCHEMBL3850; 1-(2-chlorotrityl)imidazole; BIDD:PXR0036; Lopac0_000315; BSPBio_000114; BSPBio_002057; KBioGR_000850; KBioSS_001823; 5-23-04-00291 (Beilstein Handbook Reference); MLS000758243; MLS001423972; BIDD:GT0450; DivK1c_000665; SPECTRUM1500200; BAY b5097; BAYb 5097; SPBio_000176; SPBio_002333; BPBio1_000126; GTPL2330; component of Otomax (Salt/Mix); DTXSID7029871; Gyne-Lotrimin3 Combination Pack; BDBM31774; Clotrimazole (JP17/USP/INN); HMS502B07; KBio1_000665; KBio2_001823; KBio2_004391; KBio2_006959; KBio3_001277; KS-00000XNX; Imidazole, 1-(o-chloro-.alpha.,.alpha.-diphenylbenzyl)-; component of Lotrimax (Salt/Mix); NINDS_000665; HMS1568F16; HMS1920O21; HMS2051E11; HMS2091G10; HMS2095F16; HMS2235E20; HMS3260P12; HMS3369I03; HMS3393E11; HMS3655I09; HMS3712F16; Pharmakon1600-01500200; Imidazole,.alpha.-diphenylbenzyl)-; BAY-5097; BCP02150; ZINC3807804; Tox21_110111; Tox21_300415; Tox21_500315; CCG-35563; MFCD00057220; NSC756700; s1606; STK700023; AKOS005607024; Tox21_110111_1; API0002086; CS-1926; DB00257; LP00315; MCULE-6862012558; NC00035; NSC-257473; NSC-756700; SB17418; IDI1_000665; MRF-0000070; QTL1_000024; NCGC00015251-01; NCGC00015251-03; NCGC00015251-04; NCGC00015251-05; NCGC00015251-06; NCGC00015251-07; NCGC00015251-08; NCGC00015251-09; NCGC00015251-10; NCGC00015251-11; NCGC00015251-13; NCGC00015251-14; NCGC00093761-01; NCGC00093761-02; NCGC00093761-03; NCGC00093761-04; NCGC00093761-05; NCGC00093761-06; NCGC00254538-01; NCGC00261000-01; [(2-chlorophenyl)diphenylmethyl]imidazole; 1-(o-chloro-a,a-diphenylbenzyl)imidazole; AS-13816; HY-10882; LS-78271; N713; SAM001247056; SC-17936; 1-(2-Chloro-?,?-diphenylbenzyl)imidazole; SBI-0050303.P004; AB0015989; AB1009401; DB-046195; 1-[(2-Chlorophenyl)diphenylmethyl]imidazole; 455-EP2272972A1; 455-EP2272973A1; 455-EP2275420A1; 455-EP2277872A1; 455-EP2281816A1; 455-EP2292595A1; 455-EP2295055A2; 455-EP2295416A2; 455-EP2298748A2; 455-EP2298764A1; 455-EP2298765A1; 455-EP2305642A2; 455-EP2311453A1; 455-EP2311808A1; 455-EP2311829A1; AB00051951; EU-0100315; FT-0603193; ST50994242; SW196431-5; C06922; D00282; J10369; 1-(.alpha.-(2-Chlorophenyl)benzhydryl)imidazole; 1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole; AB00051951-14; AB00051951_15; AB00051951_16; Clotrimazole, VETRANAL(TM), analytical standard; 593C751; A816789; Q413546; 1H-Imidazole, 1-[(2-chlorophenyl)-diphenylmethyl]; SR-01000075771-1; SR-01000075771-6; SR-01000075771-8; W-107394; 1-[(2-Chloro-phenyl)-diphenyl-methyl]-1H-imidazole; BRD-K15916496-001-14-7; SR-01000075771-10; 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI); 3ACDFDF8-38E3-4368-85D0-BDF8AE1E6591; Clotrimazole, British Pharmacopoeia (BP) Reference Standard; Clotrimazole, European Pharmacopoeia (EP) Reference Standard; Clotrimazole, United States Pharmacopeia (USP) Reference Standard; Clotrimazole for peak identification, European Pharmacopoeia (EP) Reference Standard; Clotrimazole, Pharmaceutical Secondary Standard; Certified Reference Material; 1-(o-Chloro-|A,|A-diphenylbenzyl)imidazole; 1-(o-Chlorotrityl)imidazole; 1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H17ClN2",
"molecular_weight": "344.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "The topical form is minimally absorbed in the serum and tissues [F3088]. Clotrimazole is a lipophilic drug [A174118], and has been shown to be secreted in breastmilk in animal studies [F3088]. There are limited data available regarding the volume of distribution following oral troche administration.",
"route_of_elimination": "Mainly hepatic [L5173].",
"protein_binding": "98% [L5170]",
"half_life": "",
"absorption": "Because clotrimazole is generally not significantly absorbed, drug interactions are not a major issue with its use [A174094].",
"cid": "2812",
"classification": "D; G; A",
"indications": "",
"side_effects": "",
"atc_codes": "D01AC01; G01AF20; A01AB18; G01AF02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T403",
"T404",
"T408"
],
"function": [
"F0108",
"F0201",
"F020401",
"F0303",
"F0701",
"F070101",
"F070102"
],
"references": [
"RC00444",
"RC00445",
"RC00446",
"RC00447",
"RC00448",
"RC00449",
"RC00450",
"RC00451",
"RC00452",
"RC00453",
"RC00454",
"RC00455",
"RC00456",
"RC00457",
"RC00458",
"RC00459",
"RC00460",
"RC00461",
"RC00462",
"RC00463",
"RC00464",
"RC00465",
"RC00466",
"RC00467",
"RC00468",
"RC00469",
"RC00928",
"RC04044",
"RC04168",
"RC04292",
"RC04416",
"RC04540"
]
},
{
"compound_ID": "D0423",
"name": "N-deacetyl ketoconazole",
"synonyms": "Deacetyl Ketoconazole; 89929-33-9; 67914-61-8; 1-(4-((2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine; SCHEMBL10567541; 4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H26Cl2N4O3",
"molecular_weight": "489.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10480684",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T076"
],
"function": [
"F0701"
],
"references": [
"RC00564",
"RC00565",
"RC00566",
"RC00567",
"RC00568",
"RC00569",
"RC00570",
"RC00571",
"RC00572",
"RC00573",
"RC00574",
"RC00575",
"RC00576",
"RC00577",
"RC00578",
"RC00579",
"RC00580",
"RC00581",
"RC00582",
"RC00583",
"RC00584",
"RC00585",
"RC00586",
"RC00587",
"RC00588",
"RC00589",
"RC00590",
"RC00591",
"RC00592",
"RC00593"
]
},
{
"compound_ID": "D0424",
"name": "2-Deoxy-D-glucose",
"synonyms": "154-17-6; Deoxyglucose; 2-Deoxy-D-mannose; 2-Deoxy-D-arabinohexose; 2-DG; 2-Desoxy-D-glucose; UNII-9G2MP84A8W; D-Arabino-hexose, 2-deoxy-; HSDB 5484; D-Glucose, 2-deoxy-; 9G2MP84A8W; (3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal; 2 Deoxyglucose; 2 Deoxy D glucose; 2 Desoxy D glucose; D-arabino-2-desoxyhexose; arabino-Hexose, 2-deoxy-; d-2-glucodesose; AK-44445; D-2dGlc; deoxy-d-glucose, 2-; 2-DEOXYLGLUCOSE; SCHEMBL7670; 4-01-00-04282 (Beilstein Handbook Reference); KSC175S5P; CHEMBL2074932; CTK0H5957; VRYALKFFQXWPIH-PBXRRBTRSA-N; ALBB-022735; KS-00000K8L; ZINC2512351; ANW-21488; CD0012; AKOS015919409; AKOS015924825; DB08831; LS30109; RTC-030040; 2-Deoxy-D-glucose, BioXtra, >=98%; AS-12502; BR-44445; CC-10393; SC-01330; AB0012037; AX8002991; DB-024740; ST2404382; TC-030040; D0051; FT-0601010; 54D176; D-arabino-Hexose, 2-deoxy- (6CI,8CI,9CI); S-1013; 2-Deoxy-D-glucose, >=98% (GC), crystalline; 2-Deoxy-D-glucose, >=99% (GC), crystalline; C-04435; Q3266534; 5CFA0332-FB70-485D-A064-6C4C39E7CBA1; 2-Deoxy-D-glucose, United States Pharmacopeia (USP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "glucose molecule which 2-hydroxyl group replaced by hydrogen, and cannot undergo further glycolysis.",
"molecular_formula": "C6H12O5",
"molecular_weight": "164.16",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "108223",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T067"
],
"function": [
"F02010202",
"F020401",
"F02040101"
],
"references": [
"RC00522",
"RC00523",
"RC00908",
"RC00962",
"RC03684"
]
},
{
"compound_ID": "D0425",
"name": "Nilutamide",
"synonyms": "nilutamide; 63612-50-0; Anandron; Nilandron; Nilandrone; Nilutamida; Nilutamidum; 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione; 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione; Nilutamidum [Latin]; Nilutamida [Spanish]; RU-23908; Nilutamide [USAN:INN:BAN]; RU 23908; RU 23908-10; UNII-51G6I8B902; 5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin; C12H10F3N3O4; BRN 0841906; CHEMBL1274; CHEBI:7573; XWXYUMMDTVBTOU-UHFFFAOYSA-N; 1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione; 5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione; 5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-imidazolidinedione; 51G6I8B902; NCGC00015754-08; CAS-63612-50-0; 2,4-IMIDAZOLIDINEDIONE, 5,5-DIMETHYL-3-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)-; DSSTox_CID_14165; DSSTox_RID_79118; DSSTox_GSID_34165; 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-1,3-diazolidine-2,4-dione; Nilandron (TN); SR-01000076034; Nilutamide (USAN/INN); Nilutamide, solid; PubChem19359; Spectrum_001625; Tocris-1759; SpecPlus_000902; Prestwick0_000928; Prestwick1_000928; Prestwick2_000928; Prestwick3_000928; Spectrum2_001973; Spectrum3_001633; Spectrum4_000600; Spectrum5_001512; Lopac-N-8534; N 8534; BIDD:PXR0177; Lopac0_000879; SCHEMBL12670; BSPBio_000836; BSPBio_003325; KBioGR_001100; KBioSS_002105; MLS002154066; BIDD:GT0683; DivK1c_006998; SPECTRUM1504152; SPBio_002125; SPBio_003015; BPBio1_000920; GTPL2864; DTXSID3034165; CTK8B7740; KBio1_001942; KBio2_002105; KBio2_004673; KBio2_007241; KBio3_002545; BCPP000148; HMS1570J18; HMS1922F03; HMS2093A10; HMS2097J18; HMS2230E03; HMS3262P19; HMS3268C18; HMS3369I02; HMS3414N15; HMS3678N13; HMS3714J18; Pharmakon1600-01504152; BCP26617; ZINC3874498; Tox21 110213; Tox21_110213; Tox21_301589; Tox21_500879; ANW-58327; BDBM50135912; CCG-39427; MFCD00864670; NSC758683; SBB067297; STK633161; 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)- 2,4-imidazolidinedione; AKOS005565152; AKOS025147305; Tox21_110213_1; AC-5260; BCP9000990; DB00665; LP00879; MCULE-3215206804; NSC-758683; RU23908; SB19036; NCGC00015754-01; NCGC00015754-02; NCGC00015754-03; NCGC00015754-04; NCGC00015754-05; NCGC00015754-06; NCGC00015754-07; NCGC00015754-09; NCGC00015754-10; NCGC00015754-11; NCGC00015754-12; NCGC00015754-15; NCGC00015754-16; NCGC00025280-01; NCGC00025280-02; NCGC00025280-03; NCGC00025280-04; NCGC00025280-05; NCGC00025280-06; NCGC00025280-07; NCGC00025280-08; NCGC00255271-01; NCGC00261564-01; 4CA-0906; AK-82300; AS-14123; HY-13702; LS-79181; SC-74493; SMR001233381; ST075550; SBI-0050854.P003; AB0013969; TC-030602; AB00053180; CS-0007719; EU-0100879; FT-0080574; FT-0630740; C08164; D00965; AB00053180_07; 612N500; A834440; L000759; Q3877030; RU-23908;RU 23908;RU23908; SR-01000076034-1; SR-01000076034-3; SR-01000076034-5; SR-01000076034-6; SR-01000076034-9; BRD-K23566484-001-05-2; BRD-K23566484-001-09-4; Z2417927201; Nilutamide, European Pharmacopoeia (EP) Reference Standard; 1-(3'-trifluoromethyl-4'-nitrophenyl)-4,4-dimethyl-imidazoline-2,5-dione; 1-(3'-trifluoromethyl-4'-nitrophenyl)4,4-dimethyl-imidazoline-2,5-dione; 1-(3'-trifluoromethyl-4'nitrophenyl)-4,4-dimethyl-imidazoline-2,5-dione; 1-(3'trifluoromethyl-4'-nitropheyl)-4,4-dimethyl-imidazoline-2,5-dione; 1-(3-'trifluoromethyl-4'-nitrophenyl)-4,4-dimethyl-imidazoline-2,5-dione; 1-(3-trifluoromethyl-4-nitro-phenyl)-4,4-dimethyl imidazolidine-2,5-dione; 1-(3-trifluoromethyl-4-nitro-phenyl)-4,4-dimethyl-imidazolidine-2,5-dione; 1-(3-trifluoromethyl-4-nitro-phenyl)-4,4-dimethyl-imidazoline-2,5-dione; 1-(3-trifluoromethyl-4-nitrophenyl)-4,4-dimethyl-imidazoline-2,5-dione; 3-(3-(trifluoromethyl)-4-nitrophenyl)-5,5-dimethylimidazolidine-2,4-dione; 2,4-Imidazolidinedione,5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-; 5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)-phenyl)imidazolidine-2,4-dione; 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-imidazolidine-2,4-dione",
"trade_name": "Nilandron and Anandron",
"abbrev_name": "",
"description": "nonsteroidal antiandrogen (NSAA)",
"molecular_formula": "C12H10F3N3O4",
"molecular_weight": "317.22",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Nilutamide is extensively metabolized andless than 2% of the drug is excreted unchanged in urine after 5 days. Fecal elimination is negligible, ranging from 1.4% to 7% of the dose after 4 to 5 days.",
"protein_binding": "",
"half_life": "38.0-59.1 hours",
"absorption": "Rapidly and completely absorbed, yielding high and persistent plasma concentrations.",
"cid": "4493",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L02BB02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02010202",
"F02040101",
"F020403"
],
"references": [
"RC00528",
"RC00529",
"RC04873",
"RC04898"
]
},
{
"compound_ID": "D0426",
"name": "DPPD",
"synonyms": "74-31-7; N,N'-Diphenyl-p-phenylenediamine; N1,N4-Diphenylbenzene-1,4-diamine; N,N'-Diphenyl-1,4-phenylenediamine; DPPD; Flexamine G; AgeRite DPPD; Diphenyl-p-phenylenediamine; Nonflex H; Stabilizer DPPD; 1,4-Dianilinobenzene; Altofane DIP; Diafen FF; Nonox DPPD; Permanax 18; p-Phenylaminodiphenylamine; Usaf gy-2; 4-Phenylaminodiphenylamine; DFFD; Antioxidant H; Antigene P; Naugard J; Permanax DPPD; 1,4-Benzenediamine, N,N'-diphenyl-; Antage DP; Ekaland DPPD; Nocrac DP; 1,4-Bis(phenylamino)benzene; p-Bis(phenylamino)benzene; 4,4'-Diphenyl-p-phenylenediamine; N,N'-Diphenyl-4-phenylenediamine; N,N'-diphenylbenzene-1,4-diamine; N,N'-Difenyl-p-fenylendiamin; Diphenyl PPD; P-PHENYLENEDIAMINE, N,N'-DIPHENYL-; NSC 5761; UNII-DD517SCM92; CCRIS 3500; HSDB 2894; N,N-Diphenyl-1,4-benzenediamine; C18H16N2; EINECS 200-806-4; N,N'-Difenyl-p-fenylendiamin [Czech]; 1,4-Benzenediamine, N1,N4-diphenyl-; BRN 2215944; AI3-14323; DD517SCM92; JZF; CHEBI:34860; UTGQNNCQYDRXCH-UHFFFAOYSA-N; N,N'-diphenyl-1,4-benzenediamine; N,N'-Diphenyl-1,4-diaminobenzene; MFCD00003015; AK-73002; Q-201436; 27137-31-1; DDPD; 1-N,4-N-diphenylbenzene-1,4-diamine; n,n'-diphenyl-p-phenylendiamine; WLN: RMR DMR; DSSTox_CID_538; ACMC-1CNH0; DSSTox_RID_75647; DSSTox_GSID_20538; SCHEMBL42930; KSC912E6N; MLS002152909; 1,4-Bis(phenylamino) benzene; Benzenediamine, N,N'-diphenyl-; CHEMBL1333512; DTXSID9020538; p-Phenylenediamine,N'-diphenyl-; CTK8B2266; NSC5761; n,n'-di-phenyl-p-phenylenediamine; HMS3039G07; N,N' diphenyl-p-phenylene diamine; ZINC388645; N,N'- Diphenyl-p-phenylenediamine; phenyl[4-(phenylamino)phenyl]amine; NSC-5761; STR04517; N,N'-diphenyl-1,4-dia minobenzene; Tox21_200354; ANW-36464; N1, N4-diphenylbenzene-1,4-diamine; AKOS015840677; N,N'-diphenyl-1,4-phenylene diamine; LS-1630; ACM27137311; CAS-74-31-7; N,N'-diphenyl-N,N'-p-phenylenediamine; TRA-0205850; N,N'-Diphenyl-p-phenylenediamine, 98%; NCGC00090861-01; NCGC00090861-02; NCGC00090861-03; NCGC00090861-04; NCGC00257908-01; BR-73002; CC-31910; OR350284; SMR001224513; SY030281; AX8016845; DB-055859; ST2413611; TC-125209; AM20060718; D0609; FT-0629584; ST50319401; V1478; MFCD00003015 (95%); C14501; S-1528; C-16255; Q22829255; N,N inverted exclamation mark -Diphenyl-p-phenylenediamine",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H16N2",
"molecular_weight": "260.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6319",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0101",
"F02110302"
],
"references": [
"RC00476",
"RC00480"
]
},
{
"compound_ID": "D0427",
"name": "FOX-988",
"synonyms": "FOX-988; SDZ-FOX-988;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H29NO5",
"molecular_weight": "423.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5491458",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101",
"F070103"
],
"references": [
"RC00911",
"RC00912"
]
},
{
"compound_ID": "D0428",
"name": "Sdz-51641",
"synonyms": "Sdz 51641; Sdz-51641; 91456-99-4; 2-(1,1-Dimethylethyl)-2-(4-methylphenyl)-1,3-dioxolane; CHEMBL289831; SCHEMBL6401506; ZINC5048; CTK5G9661; DTXSID90238572; 2-(TERT-BUTYL)-2-(4-METHYLPHENYL)-1,3-DIOXOLANE; 1,3-Dioxolane, 2-(1,1-dimethylethyl)-2-(4-methylphenyl)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H20O2",
"molecular_weight": "220.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "146329",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101",
"F070103"
],
"references": [
"RC00913",
"RC00914"
]
},
{
"compound_ID": "D0429",
"name": "thiazolidinediones",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T195"
],
"function": [
"F02110112"
],
"references": [
"RC00920",
"RC00972"
]
},
{
"compound_ID": "D0430",
"name": "Carbovir",
"synonyms": "(-)-Carbovir; Carbovir; 120443-30-3; UNII-51560211J4; CHEBI:421843; 2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-9H-purin-6-ol; CBV; 51560211J4; CCRIS 2644; NSC 614846; 118353-05-2; (1R-cis)-2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-6H-purin-6-one; 2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,9-dihydro-6H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl)-; 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-; Carbovir, (-)-; GR 90352X; 2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-; (+/-)-Carbovir; SCHEMBL180360; CHEMBL372283; CTK4B1870; (-)-CBV; DTXSID50152861; XSSYCIGJYCVRRK-RQJHMYQMSA-N; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-, cis-(+-)-; ZINC1612633; (-)-C-D4G; AKOS030254924; (+/-)-C-D4G; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-, (1R-cis)-; GR 90352; (1R,4S)-9-(4-Hydroxymethyl-2-cyclopentenyl)guanine; Q27225744; UNII-05469V2RW8 component XSSYCIGJYCVRRK-RQJHMYQMSA-N; (+/-)-cis-2-Amino-1,9-dihydro-9-[4-(hydroxymethyl)-2-cyclopenten-1-yl)-6H-purin-6-one; 2-amino-1,9-dihydro-9-[(1r,4s)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-6h-purin-6-one;",
"trade_name": "",
"abbrev_name": "CBV",
"description": "Carbocyclic Nucleoside; inhibit HIV-RT ; nucleoside reverse transcriptase inhibitor ; analog of guanosine",
"molecular_formula": "C11H13N5O2",
"molecular_weight": "247.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "135433604",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC03680"
]
},
{
"compound_ID": "D0431",
"name": "Fialuridine",
"synonyms": "FIALURIDINE; 69123-98-4; FIAU; Fluoroiodoarauridine; Fialuridine [USAN:INN]; UNII-53T7IN77LC; 1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodouracil; DRG-0098; C9H10FIN2O5; 53T7IN77LC; 2'-Fluoro-5-iodo-1-beta-D-arabinofuranosyluracil; 1-(2'fluoro-2'-deoxyarabinofuranosyl)-5-iodouracil; Uracil, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodo-; 2'-fluoro-5-iodoarauracil; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodo-; 1-((2R,3S,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione; 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodouracil; Fialurdine; 2'-Fluoro-5-iodouracil; Fialuridine (USAN/INN); SCHEMBL3189; CHEMBL271475; 1-(2-deoxy-2-fluoro-beta-arabinofuranosyl)-5-iodouracil; Fialuridine, >=98% (HPLC); ZINC4216113; 0662AC; BDBM50367488; CF-037; AKOS015856198; AKOS016009483; DB15427; 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione; AS-69583; AX8050058; LS-158629; FT-0668533; D04181; 691F984; J-700174; J-700352; Q5446286; 1-(2-deoxy-2-fluoro--d-arabinofuranosyl)-5-iodouracil; 1-(2'-Deoxy-2'-fluoro-.beta.-D-arabinofuranosyl)-5-iodouracil; 1-(2'-DEOXY-2'-FLUORO-B-D-ARABINOFURANOSYL)-5-IODOURACIL; 1-((2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione; 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione;",
"trade_name": "",
"abbrev_name": "FIAU",
"description": "nucleoside analogue; potential therapy for hepatitis B virus infection",
"molecular_formula": "C9H10FIN2O5",
"molecular_weight": "372.09",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "50313",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC03682"
]
},
{
"compound_ID": "D0432",
"name": "tetracyclines",
"synonyms": "tetracycline; 60-54-8; Deschlorobiomycin; Tetracyclinum; Tetracyclin; Abramycin; Tsiklomitsin; Achromycin; Achromycin V; Tetracyn; Tetrazyklin; Ambramycin; Hostacyclin; Omegamycin; Tetradecin; Tetraverine; Tsiklomistsin; Vetacyclinum; Tetrafil; Tetracycline base; Cefracycline; Criseociclina; Abricycline; Agromicina; Ambramicina; Biocycline; Ciclibion; Copharlan; Democracin; Lexacycline; Limecycline; Mericycline; Micycline; Neocycline; Orlycycline; Polycycline; Polyotic; Purocyclina; Roviciclina; Solvocin; Tetrabon; Tetracycl; Amycin; Veracin; SK-Tetracycline; Tetracycline II; Tetra-Co; UNII-F8VB5M810T; Cyclomycin; Sustamycin; Tetrex; Sumycin syrup; Tetracycline I; Bio-tetra; (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; CHEBI:27902; Piracaps (base); Centet (base); Polycycline (VAN); Cefracycline suspension; Liquamycin (Veterinary); Polycycline (antibiotic); F8VB5M810T; (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Tetraciclina; Tetracyclinum [INN-Latin]; Tetracycline (internal use); Tetraciclina [INN-Spanish]; Supramycin; Vetquamycin-324 (free base); 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-; E701; Achromycin (naphthacene derivative); T-125; HSDB 3188; 6-Methyl-1,11-dioxy-2-naphthacenecarboxamide; Tetracyclinehydrate; EINECS 200-481-9; MFCD00151232; Sumycin (TN); 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-; 6416-04-2 (3H2O); Economycin; Vetquamycin; Tetracycline (JAN/USP/INN); CCRIS 9483; SR-01000000212; NSC108579; Tetrabid Organon; NSC-108579; Tetracycline [USP:INN:BAN:JAN]; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-; 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Spectrum_001034; Tetracycline, EP grade; Prestwick0_000140; Prestwick1_000140; Prestwick2_000140; Prestwick3_000140; Spectrum2_001329; Spectrum3_000565; Spectrum4_000352; Spectrum5_001112; DSSTox_CID_3645; EC 200-481-9; SCHEMBL3098; DSSTox_RID_77127; DSSTox_GSID_23645; BSPBio_000220; BSPBio_001950; KBioGR_000783; KBioSS_001514; DivK1c_000827; SCHEMBL537050; SPBio_001457; SPBio_002159; BPBio1_000242; SCHEMBL2116649; SCHEMBL2116661; DTXSID7023645; SCHEMBL21271987; KBio1_000827; KBio2_001514; KBio2_004082; KBio2_006650; KBio3_001450; NINDS_000827; NWXMGUDVXFXRIG-WESIUVDSSA-N; OFVLGDICTFRJMM-WESIUVDSSA-N; HMS2090B04; Tetracycline, >=98.0% (NT); HY-A0107; RKL10088; Tetracycline, >=88.0% (HPLC); Tox21_300150; BDBM50237605; ZINC84441937; AKOS024277860; AKOS026749977; ZINC100303069; ZINC102229720; CS-8188; DB00759; MCULE-3752961261; CAS-60-54-8; IDI1_000827; NCGC00017323-03; NCGC00017323-04; NCGC00017323-05; NCGC00017323-07; NCGC00142507-02; NCGC00254063-01; CPD003601804; SAM002554934; SC-81153; ST019403; SBI-0051530.P003; FT-0696567; 1369-EP2269978A2; 1369-EP2269985A2; 1369-EP2269991A2; 1369-EP2270008A1; 1369-EP2275420A1; 1369-EP2284150A2; 1369-EP2284151A2; 1369-EP2284152A2; 1369-EP2284153A2; 1369-EP2284155A2; 1369-EP2284156A2; 1369-EP2284164A2; 1369-EP2287140A2; 1369-EP2287148A2; 1369-EP2287150A2; 1369-EP2289871A1; 1369-EP2289891A2; 1369-EP2292088A1; 1369-EP2292590A2; 1369-EP2292612A2; 1369-EP2292617A1; 1369-EP2295402A2; 1369-EP2295419A2; 1369-EP2298732A1; 1369-EP2301534A1; 1369-EP2301912A2; 1369-EP2301913A1; 1369-EP2301914A1; 1369-EP2301916A2; 1369-EP2305637A2; 1369-EP2305640A2; 1369-EP2305662A1; 1369-EP2307027A1; 1369-EP2308832A1; 1369-EP2308863A1; 1369-EP2308883A1; 1369-EP2311451A1; 1369-EP2311796A1; 1369-EP2311797A1; 1369-EP2311798A1; 1369-EP2311799A1; 1369-EP2311822A1; 1369-EP2314583A1; 1369-EP2316450A1; 1369-EP2371797A1; 1369-EP2371798A1; 1369-EP2371800A1; 1369-EP2371804A1; C06570; D00201; AB00053550-04; AB00053550_05; AB00053550_06; Q193045; SR-01000000212-3; Z2144222809; (4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)methylene]-4beta-(dimethylamino)-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6alpha,10,12,12abeta-tetrahydroxy-6-methylnaphthacene-1,3,11-trione; (4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide; (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; (4S,6S,12aS,4aS,5aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,1 1-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide;",
"trade_name": "Sumycin",
"abbrev_name": "",
"description": "broad spectrum polyketide antibiotic; binding reversible to the bacterial 30S ribosomal subunit and blocking incoming aminoacyl tRNA from binding to the ribosome acceptor site",
"molecular_formula": "C22H24N2O8",
"molecular_weight": "444.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "They are concentrated by the liver in the bile and excreted in the urine and feces at high concentrations in a biologically active form.",
"protein_binding": "20 - 67% protein bound",
"half_life": "6-12 hours",
"absorption": "Bioavailability is less than 40% when administered via intramuscular injection, 100% intravenously, and 60-80% orally (fasting adults). Food and/or milk reduce GI absorption of oral preparations of tetracycline by 50% or more.",
"cid": "54675776",
"classification": "S; J; A; D",
"indications": "",
"side_effects": "",
"atc_codes": "S03AA02; J01AA20; S02AA08; J01AA07; A02BD08; D06AA04; S01AA09; A01AB13; A02BD02; J01RA08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010502",
"F0108",
"F020103",
"F0203",
"F02060101",
"F0604"
],
"references": [
"RC03544",
"RC03545",
"RC03800",
"RC03831",
"RC04723",
"RC04724",
"RC04725"
]
},
{
"compound_ID": "D0433",
"name": "Rilopirox",
"synonyms": "Rilopirox; 104153-37-9; UNII-595T4D0KQ3; 595T4D0KQ3; 6-((p-(p-Chlorophenoxy)phenoxy)methyl)-1-hydroxy-4-methyl-2(1H)-pyridone; Rilopirox [INN]; 2(1H)-Pyridinone, 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methyl-;2(1H)-Pyridinone, 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methyl-; 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methylpyridin-2-one; SCHEMBL219251; CHEMBL2105325; DTXSID90146320; UDYUIWXQUBNDHC-UHFFFAOYSA-N; ZINC00538303; Q27261667; 1-Hydroxy-4-methyl-6-[4-(4-chlorophenoxy)phenoxymethyl]-2-pyridone; 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methyl-pyridin-2-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H16ClNO4",
"molecular_weight": "357.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "71778",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0434",
"name": "rapamycin",
"synonyms": "Rapamycin; Sirolimus; 53123-88-9; Rapamune; (-)-Rapamycin; Rapamycin (Sirolimus); AY-22989; Rapammune; WY-090217; RAPA; AY 22989; Antibiotic AY 22989; UNII-W36ZG6FT64; CCRIS 9024; CHEBI:9168; SILA 9268A; W36ZG6FT64; HSDB 7284; C51H79NO13; NSC 226080; DE-109; NCGC00021305-05; DSSTox_CID_3582; DSSTox_RID_77091; DSSTox_GSID_23582; Supralimus; Wy 090217; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; CAS-53123-88-9; sirolimusum; Perceiva; Cypher; NSC226080; 1fkb; 1pbk; NSC-226080; NCGC00181146-01; LCP-Siro; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-(methyloxy)cyclohexyl]-1-methylethyl}-6,8,12,14,20,26-hexamethyl-10,21-bis(methyloxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone; RAP; S1039; PubChem16645; Sirolimus (RAPAMUNE); BiomolKI2_000084; Rapamycin C-7, analog 4; SCHEMBL3463; Rapamycin,Sirolimus,Rapamune; BIDD:PXR0165; 23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine; MLS006010168; Sirolimus [USAN:BAN:INN]; Sirolimus [USAN:INN:BAN]; GTPL6031; DTXSID5023582; BDBM36609; L04AA10; MS-R001; SYN1185; QFJCIRLUMZQUOT-HPLJOQBZSA-N; SM-88 COMPONENT SIROLIMUS; HMS2089A21; HMS3403F11; EX-A1044; Tox21_110870; Tox21_112750; AC-722; BDBM50064359; MFCD00867594; STL570275; AKOS015850976; AKOS015961618; ZINC169289388; ACN-035837; CCG-100684; CS-0063; DB00877; NSC-2260804; NCGC00021305-06; NCGC00021305-07; AS-11687; AY 22989 pound notNSC-2260804; HY-10219; SMR004701276; LS-143290; UNM-0000358684; A-275; FT-0082351; R0097; Rapamycin, VETRANAL(TM), analytical standard; EC 610-965-5; Q32089; S-7759; 123R889; Q-201659; BRD-K84937637-001-04-0; BRD-K84937637-001-06-5; BRD-K89626439-001-01-0; 24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypy; Rapamycin from Streptomyces hygroscopicus, >=95% (HPLC), powder; Rapamycin from Streptomyces hygroscopicus, Vetec(TM) reagent grade, >=95%; Sirolimus solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34 aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hex adecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydro xy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy- 6,8,12,14,20,26-hexamethyl-23,27-ep; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-4,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-heptadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-223,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-(methyloxy)cyclohexyl]-1-methylethyl}-6,8,12,14,20,26-hexamethyl-10,21-bis(methyloxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,; 1,18-Dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-ethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-aza-tricyclo[30.3.1.0*4,9*]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone (Rapamycin);",
"trade_name": "Rapamune",
"abbrev_name": "Sirolimus",
"description": "mTOR inhibitor; macrolide; immunosuppressant",
"molecular_formula": "C51H79NO13",
"molecular_weight": "914.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "0.92",
"half_life": "57-63 hours",
"absorption": "",
"cid": "5284616",
"classification": "S; L",
"indications": "",
"side_effects": "",
"atc_codes": "L04AA10; S01XA23",
"group": "Drug",
"drug_type": "",
"target": [
"T004",
"T416"
],
"function": [
"F0108",
"F02010201",
"F02010209",
"F02110301",
"F0303",
"F030801",
"F070105",
"F08"
],
"references": [
"RC02119",
"RC03361",
"RC03724",
"RC03725",
"RC03847",
"RC03849",
"RC03851",
"RC03853",
"RC03855",
"RC03857",
"RC03859"
]
},
{
"compound_ID": "D0435",
"name": "2, 2′-Methylenebis(4-chlorophenol)",
"synonyms": "Dichlorophen; dichlorophene; 97-23-4; 2,2'-Methylenebis(4-chlorophenol); Dichlorofen; Dichlorphen; Didroxan; Didroxane; Trivex; Anthiphen; Antiphen; Cordocel; Dicestal; Difentan; Embephen; Panacide; Prevental; Taeniatol; Teniathane; Teniatol; Teniotol; Vermithana; Antifen; Halenol; Hyosan; Korium; Palacel; Parabis; Dichlorophen B; Dichlorophene 10; Dichloorfeen; Gingivit; Wespuril; Gefir; Fungicide M; DDDM; Plath-Lyse; Bis(5-chloro-2-hydroxyphenyl)methane; Fungicide GM; Preventol GD; Preventol GDC; Diphenthane 70; Sandocide; Super mosstox; Phenol, 2,2'-methylenebis[4-chloro-; Di-phentane-70; Bis(chlorohydroxyphenyl)methane; 2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane; Bis(2-hydroxy-5-chlorophenyl)methane; Giv Gard G 4-40; Di-(5-chloro-2-hydroxyphenyl)methane; Bis-2-hydroxy-5-chlorfenylmethan; Sindar G 4; Dichlorofen [Czech]; Dichloorfeen [Dutch]; Caswell No. 563; Bis(5-chlor-2-hydroxyphenyl)-methan; 5,5'-Dichloro-2,2'-dihydroxydiphenylmethane; Methanedichlorofen; O,O-Metilen-bis(4-cloro-fenolo); DDM (VAN); UNII-T1J0JOU64O; Diclorofeno [INN-Spanish]; 1322-43-6; Dichlorophene [INN-French]; Dichlorophene [ISO-French]; Dichlorophenum [INN-Latin]; G-4 Technical; C13H10Cl2O2; Dichlorophen [INN:BAN:DCF]; 4,4'-Dichloro-2,2'-methylenediphenol; CCRIS 6060; G 4 (VAN); G-4 Pure; HSDB 6033; ((Dihydroxydichloro)diphenyl)methane; Dichlorophen [BSI:ISO]; EINECS 202-567-1; NSC 38642; 2,2'-Methylenebis-(4-chlorophenol); 2,2'-Methylene-bis (4-chlorophenol); EPA Pesticide Chemical Code 055001; Phenol, 2,2'-methylenebis(4-chloro-; BRN 1884514; T1J0JOU64O; 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol; Bis-2-hydroxy-5-chlorfenylmethan [Czech]; CHEMBL33845; AI3-02370; MLS000069468; O,O-Methyleen-bis(4-chloorfenol) [Dutch]; O,O-Metilen-bis(4-cloro-fenolo) [Italian]; G 4; G-4; 4-chloro-2-(5-chloro-2-hydroxybenzyl)phenol; CHEBI:34689; Bis(5-chlor-2-hydroxyphenyl)-methan [German]; MDNWOSOZYLHTCG-UHFFFAOYSA-N; NSC38642; 2,2'-Methylenebis[4-chlorophenol]; O,O-Methyleen-bis-(4-chloorfenol); 2,2'-methanediylbis(4-chlorophenol); Dichlorofen (Czech); MFCD00002322; NCGC00091325-05; Dichlorophenum; Diclorofeno; SMR000059095; DSSTox_CID_1824; DSSTox_RID_76351; DSSTox_GSID_21824; 2,5'-dichlorodiphenylmethane; 5,2'-dihydroxydiphenylmethane; W-100114; WLN: QR DG B1R BQ EG; Phenol,2'-methylenebis[4-chloro-; [(Dihydroxydichloro)diphenyl]methane; CAS-97-23-4; Algafen; Anthipen; Nuophene; Westpuril; Fungicide fx; Difent*n; Acticide DDM; Diphentane 70; o,o-Methyleen-bis(4-chloorfenol); 2,2'-methylene-bis(4-chlorophenol); Cuniphen (Salt/Mix); Phenol, 2,2'-methylenebis(4-chloro)-; Spectrum_000762; Opera_ID_1730; Spectrum2_001214; Spectrum3_001405; Spectrum4_000390; Spectrum5_001519; SCHEMBL18052; BSPBio_003050; KBioGR_000919; KBioSS_001242; MLS001076530; BIDD:ER0237; DivK1c_000460; SPECTRUM1500626; SPBio_001028; 4-chloro-2-[(5-chloro-2-hydroxy-phenyl)methyl]phenol; DTXSID6021824; Ecco MP 2004 (Salt/Mix); CTK4B7817; HMS501G22; KBio1_000460; KBio2_001242; KBio2_003810; KBio2_006378; KBio3_002270; ZINC56435; NINDS_000460; 2,2-Methylenebis(4-chlorophenol); HMS1921M03; HMS2230H06; HMS3373O17; KUC106446N; KUC112931N; Pharmakon1600-01500626; NSC39467; ZX-AT020226; Tox21_111112; Tox21_201429; Tox21_303013; BDBM50303912; CCG-39772; NSC-38642; NSC-39467; NSC757391; s5724; SBB058814; 2,2''-methylenebis(4-chlorophenol); AKOS015917706; bis(2-hydroxy-5-chlorophenyl)-methane; Tox21_111112_1; 2,2'-Methylene-bis(4-chloro-phenol); CS-3867; DB11396; KSC-19-050; LS-2023; MCULE-2962145672; NSC-757391; OR22200; bis-(5-chloro-2-hydroxyphenyl)-methane; IDI1_000460; KS-0000171Z; QTL1_000030; NCGC00091325-01; NCGC00091325-03; NCGC00091325-04; NCGC00091325-06; NCGC00091325-07; NCGC00091325-09; NCGC00256543-01; NCGC00258980-01; AC-10330; AK176082; AS-12817; HY-12638; SC-16330; KSC-336-005-1; SBI-0051563.P002; Bis(5-chloro-2-hydroxyphenyl)methane, 95%; FT-0609137; FT-0739351; M0213; ST50826029; C14292; 3,3''-dichloro-6,6''-dihydroxydiphenylmethane; AB00052130_15; Dichlorophene, PESTANAL(R), analytical standard; Q377552; SR-01000721928; SR-01000721928-3; Bis(5-chloro-2-hydroxyphenyl)methane, technical grade, 90%;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H10Cl2O2",
"molecular_weight": "269.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3037",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P02DX02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0436",
"name": "iodonitrotetrazolium chloride",
"synonyms": "Iodonitrotetrazolium chloride; 146-68-9; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride; INT; Iodonitrotetrazolium purple; Iodonitrotetrazolium violet; Iodonitro tetrazolium; p-Iodonitrotetrazolium Violet; CHEBI:75421; 2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-phenyltetrazolium chloride; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium chloride; I-7630; J-100184; Iodonitrotetrazolium chloride, 98%; 2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-(phenyl)-2H-tetrazolium; 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium chloride; 2H-Tetrazolium, 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-, chloride (1:1); CCRIS 4228; EINECS 205-676-2; NSC 89168; PubChem20100; 2H-Tetrazolium, chloride; C19H13ClIN5O2; iodonitrotetra-zolium chloride; SCHEMBL170315; CHEMBL272094; BII7020; DTXSID30932744; ZX-AFC000393; NSC27620; NSC89168; CI-075; MFCD00149999; NSC-27620; NSC-89168; AKOS004901455; AKOS024370367; CS-3039; MCULE-3479772825; HY-15920; SC-21372; FT-0608650; I0067; I0781; ST51005933; ST51007306; X4394; I-7650; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazo; Q15411024; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5- phenyltetrazolium chloride; 2-(p-iodophenyl)-3-(p-nitrophenyl)-5-phenyl tetrazolium chloride; 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetraazole, chloride; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-tetrazol-3-ium chloride; 2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-(phenyl)-2H-tetrazolium chloride; 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetraazole, chloride; 2H-Tetrazolium, 2-(p-iodophenyl)-3-(p-nitrophenyl)-5-phenyl-, chloride (8CI); 298-94-2;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H13ClIN5O2",
"molecular_weight": "505.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "64957",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0437",
"name": "dichloroindophenol",
"synonyms": "2,6-DICHLOROINDOPHENOL; 2,6-Dichlorophenolindophenol; 956-48-9; Dichloroindophenol; 2,5-cyclohexadien-1-one, 2,6-dichloro-4-[(4-hydroxyphenyl)imino]-; UNII-C35QN2Z58B; DCPIP; dichlorphenolindophenol; 2,6-Dichloro-N-4-hydroxyphenyl-p-benzoquinone monoimine; CHEBI:945; C35QN2Z58B; CHEBI:27451; 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-((4-hydroxyphenyl)imino)-; DPIP; N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine; Indochlorophenol; 2,6-dichloro-4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one; 4-[(3,5-dichloro-4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one; Tillmans Reagent; Dichlorophenol Indophenol; Tillmans-Reagens; oxidized DCIP; oxidized DCPIP; EINECS 213-479-8; oxidized dichloroindophenol; 2,5-Cyclohexadien-1-ol; DCIP (analytical reagent); SCHEMBL107238; CHEMBL198157; CHEMBL500871; DTXSID7061352; SCHEMBL10073943; FBWADIKARMIWNM-UHFFFAOYSA-N; BCP07793; ZINC4096213; Indophenol, 2,6-dichloro- (8CI); oxidized 2,6-dichlorophenolindophenol; AKOS028109185; 2,6-dichloro-4-[(4-hydroxyphenyl)imino]; FT-0610564; C00102; p-Hydroxyphenyl-2,6-dichloro-p-benzoquinoneimine; Q420284; N-(3,5-Dichloro-4-hydroxyphenyl)-1,4-benzoquinone imine; 2,6-Dichloro-4-[(4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one; 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-[(4-hydroxyphenyl)imino]- (9CI);",
"trade_name": "",
"abbrev_name": "DCPIP, DCIP or DPIP",
"description": "a redox dye; When oxidized, DCPIP is blue with a maximal absorption at 600 nm; when reduced, DCPIP is colorless.",
"molecular_formula": "C12H7Cl2NO2",
"molecular_weight": "268.09",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13726",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0438",
"name": "aminooxyacetate",
"synonyms": "Aminooxyacetate Acid; Aminooxyacetic acid; (aminooxy)acetic acid; 645-88-5; 2-(Aminooxy)acetic acid; AOAA; carboxymethoxylamine; ACETIC ACID, (AMINOOXY)-; Carboxymethoxyamine; Aminooxyacetate; Aminooxy-acetic acid; (Carboxymethoxy)amine; (o-Carboxymethyl)hydroxylamine; aminoxyacetic acid; UNII-14I68GI3OQ; Acetic acid,2-(aminooxy)-; BRN 0878238; 14I68GI3OQ; NQRKYASMKDDGHT-UHFFFAOYSA-N; U 7524; AOA; u-7524; aminoxy-acetic acid; amino-oxyacetic acid; AOA hemihydrochloride; Acetic acid, aminooxy-; 2-(aminoxy)acetic acid; hydroxylamine acetic acid; Lopac-A-4508; Methoxyamine, 1-carboxy-; Lopac0_000007; CHEMBL347862; GTPL5136; CTK5C1432; DTXSID50214756; Hydroxylamine, O-(carboxymethyl)-; BCP30347; ZINC4689151; 1239AJ; STL197511; AKOS015919037; CCG-204103; DB02079; MCULE-4566186819; NE62756; NCGC00015058-01; NCGC00015058-02; NCGC00015058-03; NCGC00162041-01; LS-10973; AB00172543-06; 106809-EP2272537A2; 106809-EP2295407A1; 106809-EP2298736A1; SR-01000075676; J-650057; Q4746466; SR-01000075676-1; 396FBBC5-D28E-448C-A696-BF9163EA8B1A; 2-(Aminooxy)acetic acid pound>>AOAA pound>>U 7524 pound>>U7524; U-7524 pound>>Hydroxylamine, O-(carboxymethyl)-;",
"trade_name": "Aminooxyacetate Acid",
"abbrev_name": "AOA, AOAA",
"description": "GABA transaminase (GABA-T) inhibitor that induces GABA accumulation ; a general inhibitor of pyridoxal phosphate (PLP)-dependent enzymes (by attacking the Schiff base linkage between PLP and the enzyme, forming oxime type complexes)",
"molecular_formula": "C2H5NO3",
"molecular_weight": "91.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "286",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T110"
],
"function": [],
"references": [
"RC03482"
]
},
{
"compound_ID": "D0439",
"name": "Bafilomycin A1",
"synonyms": "bafilomycin A1; 88899-55-2; C35H58O9; CHEMBL290814; CHEBI:22689; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one; NSC 381866; Hygrolidin, 21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-; Bafilomycin A1(Baf-A1); NSC381866; Bafilomycin A1/; MFCD06795130; BSPBio_001470; MEGxm0_000385; SCHEMBL13775181; ACon0_000813; HMS3402J12; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-Hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one; ABP000610; BDBM50064186; AKOS030213158; ZINC169647947; DB06733; MCULE-2359469972; NCGC00163426-02; LS-178068; Q4841341; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one;",
"trade_name": "",
"abbrev_name": "",
"description": "macrolide antibiotics; ionophores (potassim); anti-tumor; anti-parasitic; immunosuppressant; anti-fungal; potent inhibitor of cellular autophagy; inhibitor of V-ATPases ;vacuolar ATPase inhibitor",
"molecular_formula": "C35H58O9",
"molecular_weight": "622.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6436223",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T403",
"T411",
"T416"
],
"function": [
"F010603",
"F030801",
"F0701",
"F0703"
],
"references": [
"RC03483",
"RC03484",
"RC03485",
"RC03486",
"RC03721"
]
},
{
"compound_ID": "D0440",
"name": "gefitinib",
"synonyms": "Gefitinib; 184475-35-2; Iressa; ZD1839; Irressat; gefitinib (zd1839); N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine; ZD 1839; ZD-1839; N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine; UNII-S65743JHBS; CCRIS 9011; 4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline; CHEMBL939; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine; S65743JHBS; CHEBI:49668; XGALLCVXEZPNRQ-UHFFFAOYSA-N; 3-Chloro-4-Fluoro-N-[(4z)-7-Methoxy-6-(3-Morpholin-4-Ylpropoxy)quinazolin-4(1h)-Ylidene]aniline; NCGC00159455-02; AK-72948; DSSTox_CID_21034; DSSTox_RID_79614; DSSTox_GSID_41034; Gefitinib [USAN]; Q-201149; 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-; Iressa(TM); IRE; Iressa (TN); CAS-184475-35-2; SR-00000000262; gefitinibum; Gefitinib (JAN/USAN/INN); Gefitinib [USAN:INN:BAN]; Gefitini; Iressa; 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine; gefitinib (iressa); Gefitinib - Iressa; IRRESSA; Iressa (AstraZeneca); nchembio866-comp14; Kinome_3321; Kinome_3322; Iressa|||ZD 1839; SCHEMBL7866; Gefitinib,ZD-1839,Iressa; Gefitinib/ZD-1839,Iressa; KBioSS_002241; MLS003899193; CU-00000000396-1; Gefitinib, Iressa, ZD1839; BDBM5447; cid_123631; EBD446; GTPL4941; DTXSID8041034; Gefitinib, >=98% (HPLC); CTK7A0364; AOB6917; QCR-105; SYN1042; BCPP000221; HMS2089B19; HMS3244M21; HMS3244M22; HMS3244N21; HMS3413H08; HMS3654A07; HMS3677H08; HMS3714A05; HMS3748E17; Pharmakon1600-01502274; AMX10169; BCP01365; Tox21_111683; ABP000855; CG0031; GP9843; MFCD04307832; NSC715055; NSC759856; s1025; STK621310; ZINC19632614; AKOS000280752; Tox21_111683_1; AB20814; AC-1556; API0002810; BCP9000718; CCG-220642; CS-0124; DB00317; KS-1204; MCULE-6951584187; NSC-715055; NSC-759856; 6-(3-morpholinopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine; KS-00000E11; N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine; NCGC00159455-03; NCGC00159455-04; NCGC00159455-05; NCGC00159455-06; NCGC00159455-08; NCGC00159455-09; NCGC00159455-14; 4CA-0562; BCB03_000781; BR-72948; CC-28943; EN002708; H018; HY-50895; SC-18023; SMR002204119; SY002154; AB0000095; LS-139916; ST2413546; AM20090619; FT-0081035; FT-0602325; SW199108-4; EC-000.2409; D01977; G-4408; J10250; K00240; S-2176; 15215-EP2269994A1; 15215-EP2272827A1; 15215-EP2272832A1; 15215-EP2275413A1; 15215-EP2277865A1; 15215-EP2280006A1; 15215-EP2281813A1; 15215-EP2281815A1; 15215-EP2287156A1; 15215-EP2292234A1; 15215-EP2292615A1; 15215-EP2298768A1; 15215-EP2298778A1; 15215-EP2301533A1; 15215-EP2301933A1; 15215-EP2305640A2; 15215-EP2305671A1; 15215-EP2311807A1; 15215-EP2311827A1; 15215-EP2311840A1; 15215-EP2316832A1; 15215-EP2316833A1; 32333-EP2281815A1; 32333-EP2292615A1; 32333-EP2301933A1; 32333-EP2305640A2; 32333-EP2305671A1; 32333-EP2311827A1; AB01273954-01; AB01273954-02; AB01273954-03; AB01273954_04; 475G352; A812870; C-22438; Q417824; SR-00000000262-2; SR-00000000262-3; Gefitinib, EuropePharmacopoeia (EP) Reference Standard; Z1551429741; 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)-quinazoline; 4-(3-CHLORO-4-FLUOROANILINO)-7-METHOXY-6-(3-MORPHOLINOPROPOXY)QUINAZOLINE; 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-(3-morpholinopropoxy)quinazoline; 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-4-morpholin)propoxy)-; Gefitinib for system suitability, EuropePharmacopoeia (EP) Reference Standard; N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;",
"trade_name": "Iressa",
"abbrev_name": "ZD1839",
"description": "an EGFR inhibitor",
"molecular_formula": "C22H24ClFN4O3",
"molecular_weight": "446.9",
"state": "solid",
"clearance": "* 595 mL/min [IV administration]",
"volume_of_distribution": "* 1400 L [IV administration]",
"route_of_elimination": "Elimination is by metabolism (primarily CYP3A4) and excretion in feces. Excretion is predominantly via the feces (86%), with renal elimination of drug and metabolites accounting for less than 4% of the administered dose.",
"protein_binding": "90% primarily to serum albumin and alpha 1-acid glycoproteins (independent of drug concentrations).",
"half_life": "48 hours [IV administration]",
"absorption": "Absorbed slowly after oral administration with a mean bioavailability of 60%. Peak plasma levels occurs 3-7 hours post-administration. Food does not affect the bioavailability of gefitinib.",
"cid": "123631",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T408"
],
"function": [
"F0108",
"F0201",
"F020103",
"F0303"
],
"references": [
"RC00147",
"RC00148",
"RC00149",
"RC00150",
"RC00151",
"RC04067",
"RC04191",
"RC04315",
"RC04439",
"RC04563"
]
},
{
"compound_ID": "D0441",
"name": "paroxetine",
"synonyms": "paroxetine; 61869-08-7; Paxil; Paxil CR; Paxetil; Seroxat; Frosinor; Paroxetina; Paroxetinum; Casbol; Motivan; Aropax; Paroxetinum [INN-Latin]; PaxPar; Paroxetina [INN-Spanish]; BRL 29060; FG 7051; Pexeva; BRL-29060; Paroxetine [USAN:INN:BAN]; (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; UNII-41VRH5220H; (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-(methylenedioxy)phenoxy)methyl)piperidine; (3s,4r)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine; [3H]Paroxetine; C19H20FNO3; FG-7051; CHEMBL490; CHEBI:7936; 41VRH5220H; 110429-35-1; DSSTox_CID_3425; (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; Paroxetine (TN); (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-methylenedioxy)phenoxy)methyl)piperidine; DSSTox_RID_77022; Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S,4R)-; Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)-; DSSTox_GSID_23425; CHEMBL1708; piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-; HSDB 7175; (-)-Paroxetine; PAROXETINE HCL HEMIHYDRATE; CAS-61869-08-7; Paroxetine (USP/INN); (3S-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine; 3h-paroxetine; Paroxetine.HCl; Paroxetin HCL; Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)-; NCGC00182968-01; 8PR; NNC-20-7051; Spectrum_001752; SpecPlus_000788; Prestwick3_000851; Spectrum5_001665; SCHEMBL27799; BSPBio_000861; KBioSS_002232; BIDD:GT0673; DivK1c_006884; BPBio1_000949; GTPL4790; DTXSID3023425; BDBM22416; KBio1_001828; KBio2_002232; KBio2_004800; KBio2_007368; AHOUBRCZNHFOSL-YOEHRIQHSA-N; HMS2090H05; ZINC527386; KS-00000JK2; Tox21_113123; BDBM50331515; (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine; AKOS015888636; Tox21_113123_1; AC-8185; DB00715; (-)-trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]-piperidine; (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine; NCGC00025355-02; NCGC00025355-03; NCGC00025355-04; NCGC00025355-05; NCGC00025355-06; NCGC00025355-07; NCGC00025355-08; NCGC00025355-09; NCGC00025355-12; CC-33477; SC-16100; SC-22977; SBI-0051908.P002; LS-114249; AB00514724; FT-0085087; C07415; D02362; AB00053704-21; AB00053704_22; AB00053704_23; Paroxetine Hydrochloride Anhydrous EP Impurity E; 869P087; C-19975; paroxetine hydrochloride (anhydrous or hemihydrate); Q408471; BRD-K37991163-003-02-7; BRD-K37991163-050-05-1; (3S,4R)-3-{[(2H-1,3-Benzodioxol-5-yl)oxy]methyl}-4-(4-fluorophenyl)piperidine; Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)-; cis-Paroxetine; Paroxetine USP Related Compound D;[(3S,4R)-4-(p-Fluorophenyl)-3-piperidyl](1,3-dioxa-5-indanyloxy)methane;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H20FNO3",
"molecular_weight": "329.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "3.1-28 L/kg observed in animal studies. Paroxetine distributes throughout the body, including the central nervous system, with only 1% remaining in the plasma.",
"route_of_elimination": "Approximately 64% of a 30 mg oral solution of paroxetine was excreted in the urine with 2% as the parent compound and 62% as metabolites. Approximately 36% of the dose was excreted in the feces (via bile), mostly as metabolites and less than 1% as parent compound.",
"protein_binding": "~ 95% bound to plasma proteins.",
"half_life": "21-24 hours",
"absorption": "Paroxetine hydrochloride is slowly, but completely absorbed following oral administration. Paroxetine mesylate salt is also completely absorbed after oral dosing. The oral bioavailability appears to be low due to extensive first-pass metabolism. Paroxetine hydrochloride oral tablets and suspension are reportedly bioequivalent. Absorption of either salt form is not substantially affected by food. Peak concentrations of Brisbelle (mesylate salt) were reached at 6 hours (3 to 8 hours range). Steady state Cmax was 13.10 ng/mL. The steady state AUC (0-last) was 237 hr*ng/mL. Paroxetine mesylate generally follows non-linear pharmacokinetics because CYP2D6, the enzyme that is part responisible for paroxetine metabolism, is readily saturable.",
"cid": "43815",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AB05",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC00167",
"RC00168",
"RC00169",
"RC00170",
"RC00171",
"RC00941",
"RC00942",
"RC00943",
"RC00944",
"RC04893"
]
},
{
"compound_ID": "D0442",
"name": "pravastatin",
"synonyms": "pravastatin; 81093-37-0; Pravastatina; Pravastatine; Pravastatinum; Pravachol; Eptastatin; Pravastatin acid; Pravastatine [French]; Pravastatinum [Latin]; Pravastatina [Spanish]; PRAVASTATIN SODIUM; Pravastatin [INN:BAN]; UNII-KXO2KT9N0G; CCRIS 7557; KXO2KT9N0G; CHEMBL1144; (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid; (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid; CHEBI:63618; (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid; SQ-31,000; Mevalothin; Pravator (TN); (+)-(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(S)-2-methylbutyryl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthyl]heptanoic acid; 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-((2S)-2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2S,6S,8S,8aR)-; 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (1S-(1alpha(betas*,deltas*),2alpha,6alpha,8beta(R*),8aalpha))-; Pravastatin (INN); SQ-31000; Pravastatin tert-Octylamine Salt; RMS-431; C23H36O7; 3beta-Hydroxycompactin; KS-5015; SCHEMBL1117; BIDD:GT0773; GTPL2953; DTXSID6023498; BDBM20688; HSDB 8368; C10AA03; TUZYXOIXSAXUGO-PZAWKZKUSA-N; HMS3715P11; ACT02637; HY-B0165; ZINC3798763; LMFA05000695; s5713; AKOS015895229; CCG-221195; DB00175; NCGC00188962-01; NCGC00188962-02; 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (1S-(1alpha(betaS*,deltaS*),2alpha,6alpha,8beta(R*),8aalpha))-1-Naphthaleneheptanoic acid; CC-33900; LS-94713; SC-17346; FT-0082682; C01844; D08410; 093P370; C-22133; SR-01000781259; Q1240093; SR-01000781259-2; BRD-K60511616-236-01-4; BRD-K60511616-236-02-2; BRD-K60511616-236-08-9; (3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-((S)-2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid;",
"trade_name": "Pravachol, Selektine",
"abbrev_name": "",
"description": "statin; 6-alpha-hydroxy acid form of mevastatin; inhibitor of HMG-CoA reductase",
"molecular_formula": "C23H36O7",
"molecular_weight": "424.5",
"state": "solid",
"clearance": "The reported clearance rate of pravastatin ranges from 6.3-13.5 ml.min/kg in adults[A177913] while in children it has been reported to be of 4-11 L/min.[A177907]",
"volume_of_distribution": "The reported steady-state volume of distribution of pravastatin is reported to be of 0.5 L/kg.[A177913] This pharmacokinetic parameter in children was found to range from 31-37 ml/kg.[A177907]",
"route_of_elimination": "From the administered dose of pravastatin, about 70% is eliminated in the feces while about 20% is obtained in the urine.[T357]\n\nWhen pravastatin is administered intravenously, approximately 47% of the administered dose is eliminated via the urine with 53% of the dose eliminated either via biotransformation of biliary.[F4603]",
"protein_binding": "Due its polarity, pravastatin binding to plasma proteins is very limited and the bound form represents only about 43-48% of the administered dose. However, the activity of p-glycoprotein in luminal apical cells and OATP1B1 produce significant changes to pravastatin distribution and elimination.[A177682]",
"half_life": "The reported elimination half-life of pravastatin is reported to be of 1.8 hours.[A34502]",
"absorption": "Pravastatin is absorbed 60-90 min after oral administration and it presents a low bioavailability of 17%.[A34502] This low bioavailability can be presented due to the polar nature of pravastatin which produces a high range of first-pass metabolism and incomplete absorption.[T239]\n\nPravastatin is rapidly absorbed from the upper part of the small intestine via proton-coupled carrier-mediated transport to be later taken up in the livery by the sodium-independent bile acid transporter.[A39676] The reported time to reach the peak serum concentration in the range of 30-55 mcg/L is of 1-1.5 hours with an AUC ranging from 60-90 mcg.h/L.[A177907]",
"cid": "54687",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10BX02; C10AA03; C10BA03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T387",
"T408"
],
"function": [
"F010401",
"F0108",
"F0201",
"F020103",
"F0303",
"F0504"
],
"references": [
"RC00172",
"RC00173",
"RC00174",
"RC00175",
"RC00176",
"RC04109",
"RC04233",
"RC04357",
"RC04481",
"RC04605",
"RC04662",
"RC04676",
"RC04691"
]
},
{
"compound_ID": "D0443",
"name": "radicicol",
"synonyms": "radicicol; Monorden; 12772-57-5; UNII-I60EH8GECX; I60EH8GECX; CHEMBL414883; CHEBI:556075; (1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione; Monorderne; RDC; C18H17ClO6; Radicolol; Radisicol; Monorden A; RHI-12648; Microlactone, 1; 1bgq; 2wer; 2zbk; 3cgy; 4egk; NSC 294404; NSC-294404; (+)-Monorden A; Radicicol R 2146; 2q8i; SCHEMBL868832; BDBM15361; BDBM227589; HMS3648C16; 6H-Oxireno(e)(2)benzoxacyclotetradecin-6,12(7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-; HY-N6769; 2024AH; MFCD06795865; ZINC13521629; AKOS024456686; CCG-208260; DB03758; NCGC00344093-06; NCGC00344093-09; CS-0028899; Radicicol from Diheterospora chlamydosporia, solid; SR-01000946352; SR-01000946352-1; (1aR,2Z,4E,14R,15aR)-8-Chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dione; (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0;{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione; [1aS-(1aR*,2Z,4E,14*,15aR*)]-8-Chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dione; RDI;",
"trade_name": "monorden",
"abbrev_name": "",
"description": "natural product that binds to Hsp90 (Heat Shock Protein 90)",
"molecular_formula": "C18H17ClO6",
"molecular_weight": "364.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6323491",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T080001",
"T080003"
],
"function": [
"F020103"
],
"references": [
"RC00182",
"RC00183",
"RC00184",
"RC00185",
"RC00186",
"RC03747",
"RC03752"
]
},
{
"compound_ID": "D0444",
"name": "trazodone",
"synonyms": "trazodone; Trazodon; 19794-93-5; Beneficat; Desirel; Sideril; Trazalon; Trazodil; Trazonil; Trazodona; Trazodonum; Trazodonum [INN-Latin]; Trazodona [INN-Spanish]; Trazodonum [Latin]; Trazodona [Spanish]; Trazodone [INN:BAN]; UNII-YBK48BXK30; C19H22ClN5O; EINECS 243-317-1; CHEMBL621; BRN 0628010; YBK48BXK30; CHEBI:9654; PHLBKPHSAVXXEF-UHFFFAOYSA-N; Oleptro; 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-; 2-(3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one; 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one; s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)-; Tradozone; 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-; 2-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one; HSDB 7048; Trazodone (INN); Trittico (TN); trazodone (Desyrel); NCGC00016035-02; CAS-25332-39-2; 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one; Spectrum_001424; Prestwick0_000292; Prestwick1_000292; Prestwick2_000292; Prestwick3_000292; Spectrum2_000854; Spectrum3_001560; Spectrum4_000755; Spectrum5_000974; Lopac-T-6154; EC 243-317-1; Lopac0_001159; Oprea1_185901; SCHEMBL28167; BSPBio_000224; BSPBio_003040; GTPL213; KBioGR_001110; KBioSS_001904; DivK1c_000196; SPBio_000867; SPBio_002443; BPBio1_000248; DTXSID5045043; CTK4E2359; KBio1_000196; KBio2_001904; KBio2_004472; KBio2_007040; KBio3_002540; NINDS_000196; ZINC538483; BCP07176; BDBM50073444; BG0346; s5857; AKOS015896423; AC-6778; API0000873; CCG-205233; DB00656; MCULE-8110542411; 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one; IDI1_000196; NCGC00016035-01; NCGC00016035-03; NCGC00016035-04; NCGC00016035-05; NCGC00016035-06; NCGC00016035-07; NCGC00016035-08; NCGC00016035-09; NCGC00016035-10; NCGC00016035-12; NCGC00024405-03; 8-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6-trien-9-one hydrochloride; J10.767K; M979; SC-77266; SBI-0051126.P003; AX8215176; LS-156735; FT-0658382; C07156; D08626; AB00053648-14; AB00053648_15; AB00053648_16; 794T935; L000771; Q411457; BRD-K70778732-003-05-1; BRD-K70778732-003-15-0; 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-; 2-(3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one #; 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one;",
"trade_name": "",
"abbrev_name": "triazolopyridine; serotonin antagonist and reuptake inhibitor (SARI) class",
"description": "",
"molecular_formula": "C19H22ClN5O",
"molecular_weight": "371.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "89-95% bound to plasma proteins in vitro",
"half_life": "Undergoes biphasic elimination with an initial phase t<sub>1/2 α</sub> of 3-6 hours and a terminal phase t<sub>1/2 β</sub> of 5-9 hours.",
"absorption": "Rapidly and almost completely absorbed following oral administration. Food may decrease the rate and extent of absorption.",
"cid": "5533",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AX05",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F020103"
],
"references": [
"RC00202",
"RC00203",
"RC00204",
"RC00205",
"RC00206"
]
},
{
"compound_ID": "D0445",
"name": "verapamil",
"synonyms": "VERAPAMIL; Iproveratril; 52-53-9; Vasolan; Dilacoran; Isoptin; Falicard; Finoptin; Isoptimo; Isoptine; Calan; Verapamilo; Verapamilum; Lekoptin; Verapamilum [INN-Latin]; Verapamilo [INN-Spanish]; Isotopin; Calcan; Tarka; D-365; Izoptin; Securon; Verelan; Verapamil [USAN:INN:BAN]; CP-16533-1; Covera-HS; 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; Verpamil; CCRIS 6749; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile; Isoptin SR; Verelan PM; Calan SR; EINECS 200-145-1; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; CHEBI:77733; NSC 135784; SGTNSNPWRIOYBX-UHFFFAOYSA-N; C27H38N2O4; 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile; alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-; alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-; Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-; Verapamil AL; NCGC00016083-09; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; DSSTox_CID_21152; DSSTox_RID_79636; DSSTox_GSID_41152; Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-; dl-Verapamil; r,s-verapamil; CAS-52-53-9; NSC272366; Verapamil (USAN/INN); Ansyr; NSC 272306NA; EINECS 260-462-6; Calan (Salt/Mix); Akilen (Salt/Mix); (+/-) verapamil; Isoptin (Salt/Mix); Cordilox (Salt/Mix); delta-365; Covera-HS (Salt/Mix); Prestwick0_000141; Prestwick1_000141; Prestwick2_000141; Prestwick3_000141; Spectrum2_001740; Spectrum4_000906; Spectrum5_001786; CP 16533-1; D 365; CHEMBL6966; Lopac0_001237; SCHEMBL16742; BSPBio_000242; BSPBio_001513; BSPBio_002358; KBioGR_000233; KBioGR_001372; KBioGR_002343; KBioSS_000233; KBioSS_002346; MLS006011414; DivK1c_000399; SPBio_001820; SPBio_002181; BPBio1_000268; GTPL2406; CP 16533-1 (Verapamil); DTXSID9041152; SCHEMBL13287282; (A+/-)-Verapamil hydrochloride; BDBM81939; CTK8D7130; KBio1_000399; KBio2_000233; KBio2_002343; KBio2_002801; KBio2_004911; KBio2_005369; KBio2_007479; KBio3_000465; KBio3_000466; KBio3_002823; cMAP_000023; NINDS_000399; NSC-272306NA; Bio1_000425; Bio1_000914; Bio1_001403; Bio2_000233; Bio2_000713; HMS1791L15; HMS1989L15; HMS2089H17; HMS3402L15; Tox21_110300; LS-174; NSC_62969; STK538085; AKOS005468962; Tox21_110300_1; API0004584; CCG-205311; DB00661; MCULE-3016077278; CAS_52-53-9; IDI1_000399; IDI1_033983; NCGC00016083-04; NCGC00016083-05; NCGC00016083-06; NCGC00016083-07; NCGC00016083-08; NCGC00016083-10; NCGC00016083-11; NCGC00016083-13; NCGC00016083-14; NCGC00016083-15; NCGC00016083-16; NCGC00016083-17; NCGC00016083-18; NCGC00016083-20; NCGC00024710-04; NCGC00024710-05; NCGC00024710-06; NCGC00024710-07; NCGC00024710-08; NCGC00024710-09; NCGC00344584-01; 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile; 56949-77-0; AC-16016; BP-21223; CC-35584; NCI60_020143; SC-17292; SMR001550201; SBI-0051204.P003; CP-165331; AB00053495; FT-0080127; FT-0603225; ST50826367; CP-16,533-1; 1394-EP2270011A1; 1394-EP2272841A1; 1394-EP2272972A1; 1394-EP2272973A1; 1394-EP2275420A1; 1394-EP2277865A1; 1394-EP2277872A1; 1394-EP2280008A2; 1394-EP2298742A1; 1394-EP2298764A1; 1394-EP2298765A1; 1394-EP2298776A1; 1394-EP2298779A1; 1394-EP2301923A1; 1394-EP2301931A1; 1394-EP2301936A1; 1394-EP2305648A1; 1394-EP2314585A1; 1394-EP2316832A1; 1394-EP2316833A1; 52V114; C07188; D02356; AB00053495-20; AB00053495_21; C-22537; L001330; Q410291; BRD-A09533288-001-02-7; BRD-A09533288-003-05-6; CP-165331 / CP-16533-1; F2173-0851; VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE; .alpha.-((N-Methyl-N-homoveratryl)-.gamma.-aminopropyl)-3,4-dimethoxyphenylacetonitrile; (?)-alpha-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; 2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-isopropylpentanenitrile, (+/-)-; 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile #; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]methylamino}-2-(methy lethyl)pentanenitrile;",
"trade_name": "Isoptin, Calan",
"abbrev_name": "",
"description": "phenylalkylamine calcium channel blocker; calcium channel antagonist; non-dihydropyridine class of calcium channel blockers",
"molecular_formula": "C27H38N2O4",
"molecular_weight": "454.6",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Approximately 70% of an administered dose is excreted as metabolites in the urine and 16% or more in the feces within 5 days. About 3% to 4% is excreted in the urine as unchanged drug.",
"protein_binding": "0.9",
"half_life": "2.8-7.4 hours",
"absorption": "0.9",
"cid": "2520",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C08DA51; C08DA01; C09BB10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020403"
],
"references": [
"RC04877"
]
},
{
"compound_ID": "D0446",
"name": "phylloquinone",
"synonyms": "Vitamin K1; Phylloquinone; phytonadione; 84-80-0; Phytomenadione; Phytylmenadione; 3-Phytylmenadione; Phyllochinon; 2-Methyl-3-phytyl-1,4-naphthoquinone; alpha-Phylloquinone; Fitomenadiona; VitaminK1; Antihemorrhagic vitamin; VITAMIN K; trans-Phylloquinone; UNII-S5Z3U87QHF; (E)-phytonadione; Phyllochinonum; Phytomenadionum; Phytonadionum; 2-Methyl-3-phytyl-1,4-naphthochinon; Vitamin K 1; 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione; S5Z3U87QHF; Fitomenadione; 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione; 11104-38-4; 79083-00-4; CHEBI:18067; MBWXNTAXLNYFJB-NKFFZRIASA-N; MFCD00214063; Phyllochinon [German]; Fitomenadione [DCIT]; Vitamin K1 (VAN); DSSTox_CID_3472; NSC 270681; 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione; DSSTox_RID_77041; DSSTox_GSID_23472; Fitomenadiona [INN-Spanish]; Phytomenadionum [INN-Latin]; 1,4-Naphthoquinone, 2-methyl-3-phytyl-; HSDB 3162; C31H46O2; EINECS 201-564-2; 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone; CAS-84-80-0; Phytonadione, K1; Phylloquinone (8CI); 2-Methyl-3-phytyl-1,4-naphthochinon [German]; 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))-; Phytonadione [USP:JAN]; Phythyl-menadion (GERMAN); 2', 3'-trans-Vitamin K1; 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-; NSC-270681; 2-methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione; NCGC00159423-02; 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-; EINECS 234-330-3; EINECS 279-052-3; Phylloquinone e-form; vitamin K1, 11; Vitamin K1 (generic); Vitamin K1 ,(S); phylloquinone;2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE; SCHEMBL3882; Vitamin K1, viscous liquid; CHEMBL1550; MLS001074732; BIDD:GT0793; SCHEMBL351365; 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalened- ione; 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone #; DTXSID8023472; Phytonadione, (E)-(+/-)-; BDBM24782; [r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione; [r-[r*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione; 1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-; 1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl)-; HMS2094G09; HMS2270J10; Pharmakon1600-01505485; phytonadione|||trans-Phylloquinone; HY-N0684; ZINC3831332; Tox21_111655; LMPR02030028; NSC760373; s4698; AKOS015841892; Tox21_111655_1; vitamin K hydroquinone (phylloquinone); AT-6461; CCG-213568; CS-6376; DB01022; EBD2157931; NSC-760373; (R*,R*-(E))-(1)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone; NCGC00159423-03; Phylloquinone (K1), analytical standard; AS-13734; K516; SC-13299; SMR000112043; SBI-0206926.P001; TR-026208; A-8090; J10207; AB00698065_04; 214V063; A840928; Q186093; SR-05000001941; C31H46O2 (2-methyl-3-phytyl-1,4-naphthoquinone); Q-201934; SR-05000001941-1; W-108488; 2-methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec; 84C51B31-3CE2-476B-BE66-A84BDD46A513; UNII-A034SE7857 component MBWXNTAXLNYFJB-NKFFZRIASA-N; UNII-MLF3D1712D component MBWXNTAXLNYFJB-NKFFZRIASA-N; VITAMIN K1; 2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE; Phytomenadione, European Pharmacopoeia (EP) Reference Standard; Phytonadione, United States Pharmacopeia (USP) Reference Standard; Vitamin K1 solution, 10 mug/mL in ethanol, certified reference material; Vitamin K1, BioXtra, >=99.0% (sum of isomers, HPLC), mixtur of isomers; Phytonadione, Pharmaceutical Secondary Standard; Certified Reference Material; 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione; rel-2-Methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione; Vitamin K1-13C6 solution, 5 mug/mL in ethanol, certified reference material, ampule of 1 mL;",
"trade_name": "",
"abbrev_name": "Mephyton",
"description": "vitamin K1",
"molecular_formula": "C31H46O2",
"molecular_weight": "450.7",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Almost no free unmetabolized vitamin K appears in bile or urine.",
"protein_binding": "",
"half_life": "",
"absorption": "Oral phylloquinone is adequately absorbed from the gastrointestinal tract only if bile salts are present. After absorption, phylloquinone is initially concentrated in the liver, but the concentration declines rapidly. Very little vitamin K accumulates in tissues.",
"cid": "5284607",
"classification": "B",
"indications": "",
"side_effects": "",
"atc_codes": "B02BA01",
"group": "Drug",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC00598"
]
},
{
"compound_ID": "D0447",
"name": "menaquinones",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "vitamin K2 homologues",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC00599"
]
},
{
"compound_ID": "D0448",
"name": "mefloquine",
"synonyms": "mefloquine; (-)-Mefloquine; Mefloquin; Racemic mefloquine; Mefloquinum [INN-Latin]; Mefloquina [INN-Spanish]; Mefloquine [USAN:INN:BAN]; (-)-(11S,2'R)-erythro-Mefloquine; 53230-10-7; Ro 215998; Ro 21-5998; HSDB 6853; WR 142490; CHEMBL172; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol; Mephloquine; CHEBI:63687; (DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol; Mefloquinum; Mefloquina; RTI1189-1-1; 4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, (R*,S*)-(+-)-; 51742-87-1; RO 13-7225; WR-142,490; Ro-21-5998-001; MLS001332559; [(11S,2'R)-2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol; 4-Quinolinemethanol, alpha-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (alphaS)-rel-; RTI1188-1-1; RO 13-7224; (S,R)-MEFLOQUINE; NCGC00161831-02; 51742-86-0; Mefloquine (USAN/INN); SMR000875233; WR 142,490; WR-177,602; (S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2R)-2-piperidyl]methanol; BIDD:PXR0166; SCHEMBL21780; cid_65329; BIDD:GT0596; (S)-(2,8-bis(trifluoromethyl)quinolin-4-yl)((R)-piperidin-2-yl)methanol; DTXSID4037168; BDBM79170; ZINC897085; BDBM50151865; MMV000014; MMV000016; (+)-(11S,2'R)-erythro-Mefloquine; NCGC00161831-01; NCGC00161831-03; LS-142023; LS-187797; C07633; D04895; BRD-K40645748-003-08-5; Q27084116; UNII-TML814419R component XEEQGYMUWCZPDN-DOMZBBRYSA-N; (+)-erythro-4-Quinolinemethanol, .alpha.-2-piperidinyl-2,8-bis(trifluoromethyl)-; (S)-[2,8-bis(trifluoromethyl)-4-quinolinyl]-[(2R)-2-piperidinyl]methanol;hydrochloride; (S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2R)-2-piperidyl]methanol;hydrochloride; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride; 4-Quinolinemethanol, .alpha.-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (.alpha.S)-; 4-Quinolinemethanol, alpha-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (alphaS)-;",
"trade_name": "Lariam, Mephaquin, Mefliam",
"abbrev_name": "",
"description": "phospholipid-interacting antimalarial drug (antimalarials)",
"molecular_formula": "C17H16F6N2O",
"molecular_weight": "378.31",
"state": "solid",
"clearance": "* 30 mL/min",
"volume_of_distribution": "* 20 L/kg [healthy adults]",
"route_of_elimination": "There is evidence that mefloquine is excreted mainly in the bile and feces. Urinary excretion of unchanged mefloquine and its main metabolite under steady-state condition accounted for about 9% and 4% of the dose, respectively.",
"protein_binding": "0.98",
"half_life": "2 to 4 weeks",
"absorption": "Well absorbed from the gastrointestinal tract. The presence of food significantly enhances the rate and extent of absorption.",
"cid": "40692",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P01BF02; P01BC02",
"group": "Drug",
"drug_type": "",
"target": [
"T019"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC00933",
"RC04888"
]
},
{
"compound_ID": "D0449",
"name": "thapsigargin",
"synonyms": "thapsigargin; 67526-95-8; UNII-Z96BQ26RZD; Z96BQ26RZD; CHEMBL96926; CHEBI:9516; OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OXY]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER; (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate; Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-((2-methyl-1-oxo-2-butenyl)oxy)-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-7-yl ester, (3S-(3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha))-; TG1; SR-01000076181; Octanoic Acid [3s-[3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha(Z), 9balpha]]-6-(Acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-Decahydro-3,3a-Dihydroxy-3,6,9-Trimethyl-8-[(2-Methyl-1-Oxo-2-Butenyl)oxy]-2-Oxo-4-(1-Oxobutoxy)-Azuleno[4,5-B]furan-7-Yl Ester; Octanoic Acid [3s-[3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha(Z), 9balpha]]-6-(Acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-Decahydro-3,3a-Dihydroxy-3,6,9-Trimethyl-8-[(2-Methyl-1-Oxo-2-Butenyl)oxy]-2-Oxo-4-(1-Oxobutoxy)-Azuleno[4,5-B]furan-7-Yl Ester; MFCD00083511; Azuleno[4,5-b]furan, octanoic acid deriv.; n-7-yl ester (9CI); Lopac0_001262; SCHEMBL82423; BSPBio_001501; MLS006010944; GTPL5351; CHEBI:93212; HMS1361L03; HMS1791L03; HMS1989L03; HMS3263N06; HMS3402L03; ZINC8195655; Tox21_501262; BDBM50035612; C28H38O12.C7H16; AKOS024456410; CCG-205336; LMPR0103410001; LP01262; IDI1_033971; NCGC00016060-08; NCGC00162381-05; NCGC00162381-06; NCGC00261947-01; AS-56389; HY-13433; SMR001456557; LS-176600; Thapsigargin (Synonyms: Thapsigargin (TG)); Thapsigargin, >=98% (HPLC), solid film; B6614; CS-0006886; EU-0101262; C09561; T 9033; alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]]-; Q3981006; SR-01000076181-1; SR-01000076181-5; BRD-K69023402-001-02-5; (3S,3aR,4S,6S,6AR,7S,8S,9bS)-6- (Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl octanoate; (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate; octanoic acid {3S-[3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]}-6-(acetoxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester; octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(-oxobutoxy)azuleno[4,5-b]furan; Octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]fura; Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3S-[3alpha,3abeta,4;",
"trade_name": "",
"abbrev_name": "",
"description": "non-competitive inhibitor of the sarco/endoplasmic reticulum Ca2+ ATPase (SERCA); sesquiterpene lactone",
"molecular_formula": "C34H50O12",
"molecular_weight": "650.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "446378",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0703"
],
"references": [
"RC03793"
]
},
{
"compound_ID": "D0451",
"name": "Cochlioquinone b",
"synonyms": "COCHLIOQUINONE B; 32450-26-3; CHEMBL2288169",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H40O6",
"molecular_weight": "472.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "182083",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01364"
]
},
{
"compound_ID": "D0452",
"name": "aurovertin B",
"synonyms": "aurovertin b; SCHEMBL21067566; DB07394; AUR; Q27096613; (1S)-4-O-acetyl-1,5:3,6-dianhydro-7,8-dideoxy-1-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)hexa-1,3,5-trien-1-yl]-3,5-dimethyl-D-glycero-L-talo-octitol",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H32O8",
"molecular_weight": "460.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6441012",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T019"
],
"function": [
"F020103"
],
"references": [
"RC00111"
]
},
{
"compound_ID": "D0454",
"name": "nitrofurazone",
"synonyms": "nitrofurazone; Nitrofural; Furacilin; 59-87-0; Furacin; Furacillin; Aldomycin; Furacine; Furaldon; Nifuzon; 5-Nitro-2-furaldehyde semicarbazone; Actin-N; Babrocid; Chemofuran; Furacinetten; Furacoccid; Furacycline; Furaziline; Furazone; Mastofuran; Monafuracin; Nitrofurazan; Nitrozone; Otofuran; Alfucin; Amifur; Furesol; Mammex; Furazol W; 5-Nitrofurfural semicarbazone; Becafurazone; Biofuracina; Dermofural; Furametral; Furaseptyl; Furatsilin; Fuvacillin; Monafuracis; Monofuracin; Nitrofurol; Biofurea; Cocafurin; Coxistat; Dynazone; Eldezol; Fedacin; Flavazone; Fracine; Furacort; Furaderm; Furagent; Furalone; Furaplast; Furaskin; Furazin; Furazina; Furazyme; Furfurin; Furosem; Hemofuran; Ibiofural; Nifucin; Nifurid; Otofural; Sanfuran; Vabrocid; Vadrocid; Yatrocin; Chixin; Nefco; 5-Nitrofurazone; Furan-Ofteno; Spray-Dermis; Spray-Foral; Furacin-Hc; Nitrofuralum; Eldezol F-6; Furacilinum; Nitrofurane; Furacin-E; Nitrofuraldehyde semicarbazone; (5-Nitro-2-furfurylidenamino)urea; 5-Nitrofuraldehyde semicarbazide; Usaf ea-4; Fura-septin; Veterinary nitrofurazone; Nitrofuran (bactericide); NF-7; 6-Nitrofuraldehyde semicarbazide; 5-Nitro-2-furfural semicarbazone; 1-(5-Nitro-2-furfurylidene)semicarbazide; NSC-2100; 5-Nitrofuran-2-aldehyde semicarbazone; 5-Nitro-2-furfuraldehyde semicarbazone; NCI-C56064; 5-Nitro-2-furancarboxaldehyde semicarbazone; UNII-X8XI70B5Z6; Nitrofurazonum; Nitrofural [INN]; Semikarbazon 5-nitrofurfuralu; NFZ; Hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-; MFCD00003225; U-6421; 2-Furaldehyde, 5-nitro-, semicarbazone; Rivafurazon; 5-nitrofuran-2-carbaldehyde semicarbazone; Acutol; X8XI70B5Z6; NFS; 2-Furancarboxaldehyde, 5-nitro-, semicarbazone; NSC1602; NSC2100; Rivopon-5; component of Furea; (5-Nitro-2-furfurylideneamino)urea; Nitrofural (INN); NSC-1602; component of Furadex; component of Furacort; Hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-; NCGC00090686-04; NCGC00090686-07; DSSTox_CID_944; Nitrofuralum [INN-Latin]; [(E)-(5-nitrofuran-2-yl)methylideneamino]urea; DSSTox_RID_75881; DSSTox_GSID_20944; 2-[(5-Nitro-2-furanyl)methylene]hydrazinecarboxamide; CCRIS 1195; WLN: T5OJ BNW E1UNMVZ; HSDB 3136; (2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide; (E)-2-((5-nitrofuran-2-yl)methylene)hydrazine-1-carboxamide; Dymazone; Furalcyn; NSC 1602; NSC 2100; 2-Furancarboxaldehyde, semicarbazone; EINECS 200-443-1; 2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; Semikarbazon 5-nitrofurfuralu [Polish]; BRN 0086403; AI3-17333; SR-05000002027; 2-((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; N-[(1E)-2-(5-nitro(2-furyl))-1-azavinyl]aminoamide; CHEBI:44368; Nitrofurazone [USP:INN:BAN]; Nfz mix; CAS-59-87-0; Prestwick_806; 2-[(5-nitro-2-furyl)methylene]hydrazinecarboxamide; Furacin (TN); Nitrofurazone (USP); PubChem7175; [(E)-(5-nitro-2-furyl)methyleneamino]urea; Prestwick2_000492; Prestwick3_000492; Spectrum5_001160; Nitrofurazone (Nitrofural); CHEMBL869; SCHEMBL25416; SCHEMBL25417; BSPBio_000383; BSPBio_002075; MLS002153843; ARONIS24564; SPECTRUM1500434; BPBio1_000423; component of Furea (Salt/Mix); component of Furadex (Salt/Mix); HMS502G20; IAIWVQXQOWNYOU-FPYGCLRLSA-N; HMS1569D05; HMS1920B04; HMS2091J04; HMS2096D05; HMS3713D05; Pharmakon1600-01500434; HY-B0226; ZINC4802968; Tox21_110997; Tox21_202988; Tox21_400035; BDBM50420350; CCG-39642; NSC757244; s1644; SBB028409; STK741625; 1-(5-Nitrofurfurylidene)semicarbazide; 5-Nitro-2-furaldehyde, semicarbazone; AKOS000304771; Nitrofural;Furacilin;ACTIN-N;Otofuran; Tox21_110997_1; CS-2174; DB00336; LS41202; MCULE-5485227436; NSC-757244; RTR-032588; IDI1_000778; NCGC00090686-01; NCGC00090686-02; NCGC00090686-03; NCGC00090686-05; NCGC00090686-06; NCGC00090686-08; NCGC00090686-11; NCGC00260533-01; AC-10331; H823; SC-05628; Semioxamazide, 1-(5-nitrofurfurylidene)-; SMR000059012; SBI-0051458.P003; AB2000189; ST4012758; TR-032588; AB00373885; N0200; C08042; D00862; AB00373885-04; AB00373885_05; AB00373885_06; Structure of 5-nitro-2-furaldehyde-semicarbazone; [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea; Q-201480; SR-05000002027-1; SR-05000002027-3; BRD-K79092138-001-05-2; BRD-K79092138-001-06-0; 5-Nitro-2-furaldehyde semicarbazone, >=97.0% (HPLC); Nitrofural, European Pharmacopoeia (EP) Reference Standard; Nitrofurazone, United States Pharmacopeia (USP) Reference Standard; Nitrofural for peak identification, European Pharmacopoeia (EP) Reference Standard; Nitrofurazone solution, 100 mug/mL in acetonitrile, VETRANAL(TM), analytical standard; Nitrofurazone, Pharmaceutical Secondary Standard; Certified Reference Material;",
"trade_name": "Aldomycin, Amifur, Chemfuran, Coxistat, Furacin, Furan-2, Furacinetten, Furaplast, Furazol W, Furesol Furracoccid, Mammex, Nefco, Nifuzon, Nitrofural, Vabrocid",
"abbrev_name": "",
"description": "antimicrobial; nitrofuran class; topical anti-infective agent effective against gram-negative and gram-positive bacteria",
"molecular_formula": "C6H6N4O4",
"molecular_weight": "198.14",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "5 hours",
"absorption": "Well absorbed.",
"cid": "5447130",
"classification": "S; P; B; D",
"indications": "",
"side_effects": "",
"atc_codes": "S01AX04; D08AF01; S02AA02; P01CC02; B05CA03; D09AA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02010103",
"F02010104",
"F020105"
],
"references": [
"RC00711",
"RC00712",
"RC00713",
"RC00730",
"RC00731",
"RC00732",
"RC00742",
"RC00743"
]
},
{
"compound_ID": "D0455",
"name": "nitroimidazole",
"synonyms": "2-Nitroimidazole; Azomycin; 527-73-1; 2-NITRO-1H-IMIDAZOLE; Amicin; nitroimidazole; 1H-Imidazole, 2-nitro-; Imidazole, 2-nitro-; Ro 05-9129; 2-Nitroimidazole, 98%; EINECS 208-425-5; 36877-68-6; NSC 105831; BRN 0116444; UNII-K8E96XL55D; Azomycin (2-Nitroimidazole); K8E96XL55D; CHEBI:67135; YZEUHQHUFTYLPH-UHFFFAOYSA-N; MFCD00005185; NSC105831; 11A; 2-Nitroimidazol; 2 -nitroimidazole; 2-nitro-imidazole; PubChem7616; ACMC-1ATP5; WLN: T5M CNJ BNW; Azomycin - 2-Nitroimidazole; SCHEMBL10049; KSC270C3J; MLS006010891; 2H-Imidazole, 2-aci-nitro-; CHEMBL433637; SCHEMBL4794199; DTXSID7060178; SCHEMBL17145914; CTK1H0134; KS-00000DFE; HMS3655N18; ACT02015; ALBB-016499; BCP26458; CS-D1102; HY-N0195; ZINC1481980; ANW-31547; BBL100949; CN-006; CN0023; s2267; STL554743; AKOS006222773; AKOS007929923; CCG-208568; ML01025; NSC-105831; RTC-030478; TRA0014751; NCGC00346715-01; 875208-30-3; AK-28550; AS-14901; BR-28550; LS-78837; N060; SC-05069; SMR004701806; SY019543; DB-006205; Ro-59129-001; ST2410179; TC-030478; AM20100295; BB 0261804; FT-0601241; FT-0687305; N0891; SW220260-1; C-5321; C14531; 122288-EP2272510A1; 122288-EP2295432A1; 527N731; SR-05000002197; Q-200313; SR-05000002197-2; Q27135639;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C3H3N3O2",
"molecular_weight": "113.08",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10701",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02010103",
"F020105"
],
"references": [
"RC00714",
"RC00715",
"RC00716",
"RC00733",
"RC00734",
"RC00735"
]
},
{
"compound_ID": "D0456",
"name": "metronidazole",
"synonyms": "metronidazole; 443-48-1; Flagyl; Metronidazol; Anagiardil; 2-Methyl-5-nitroimidazole-1-ethanol; Trichazol; Gineflavir; Meronidal; Metronidaz; Novonidazol; Trichopol; Trivazol; Danizol; Mexibol; Vagilen; Clont; MetroGel; Flagemona; Giatricol; Metronidazolo; Sanatrichom; Takimetol; Trichocide; Trichomol; Trikacide; Acromona; Atrivyl; Deflamon; Efloran; Entizol; Flagesol; Monagyl; Monasin; Orvagil; Trichex; Tricocet; Trikamon; Trikojol; Trikozol; Trimeks; Vagimid; Vertisal; Wagitran; Arilin; Bexon; Elyzol; Eumin; Flagil; Klion; Klont; Nalox; Tricom; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol; Bayer 5360; neo-Tric; Tricowas B; Deflamon-wirkstoff; Protostat; Satric; MetroCream; MetroLotion; MetroGel-Vaginal; CONT; NIDA; Methronidazole; Metromidol; Trichopal; Flegyl; Fossyol; Flagyl Er; 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-; Metronidazolum; Noritate; Metro I.V.; Metrolyl; Metric 21; Trichomonacid 'pharmachim'; Metro Gel; 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole; NSC-50364; Metronidazole in Plastic Container; RP 8823; Metronidazolo [DCIT]; 2-Methyl-1-(2-hydroxyethyl)-5-nitroimidazole; 2-Methyl-3-(2-hydroxyethyl)-4-nitroimidazole; SC 10295; 1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole; Mexibol 'silanes'; Metro I.V. In Plastic Container; Metronidazol [INN-Spanish]; Metronidazolum [INN-Latin]; 1-(beta-Ethylol)-2-methyl-5-nitro-3-azapyrrole; Flagyl I.V. RTU; Flagyl 375; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; Caswell No. 579AA; 1-(beta-Hydroxyethyl)-2-methyl-5-nitroimidazole; 1-Hydroxyethyl-2-methyl-5-nitroimidazole; 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol; FLAGYL I.V. RTU IN PLASTIC CONTAINER; 1-(beta-Oxyethyl)-2-methyl-5-nitroimidazole; NSC 50364; CCRIS 410; UNII-140QMO216E; Imidazole-1-ethanol, 2-methyl-5-nitro-; HSDB 3129; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; NSC69587; EINECS 207-136-1; MFCD00009750; NSC 69587; EPA Pesticide Chemical Code 120401; BRN 0611683; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol; MLS000028590; CHEBI:6909; VAOCPAMSLUNLGC-UHFFFAOYSA-N; 140QMO216E; BAY-5360; NSC50364; NSC-69587; Metronidazole, 99%; NCGC00016446-06; CAS-443-48-1; Metrodzhil; Metrogyl; Metrolag; Metrotop; Rathimed; SMR000058175; Vandazole; Zadstat; Metric; 2-(2-methyl-5-nitroimidazolyl)ethan-1-ol; Tricho cordes; DSSTox_CID_892; Tricho-gynaedron; DSSTox_RID_75848; DSSTox_GSID_20892; 99616-64-5; 1-(.beta.-Ethylol)-2-methyl-5-nitro-3-azapyrrole; 1-(.beta.-Hydroxyethyl)-2-methyl-5-nitroimidazole; giniflavir; Trichobrol; Florazole; Mepagyl; Metrozine; Nidagyl; Rosased; Zidoval; Metryl; Ginefla vir; WLN: T5N CNJ A2Q B1 ENW; Metronidazole Phosphoester; Noritate (TN); Metro cream & gel; Metronidazole Monohydrochloride; Flagyl (TN); WLN: T6NTJ DQ ANU1- ET5N CNJ A1 BNW; Metrogel-vaginal (TN); METRONIDAZOLE USP; METRO I.V; SR-01000000244; Metronidazole [USAN:INN:BAN:JAN]; Polibiotic; Trikhopol; Donnan; Flazol; CB-01-14 MMX; Methyl-5-nitroimidazole-1-ethanol; Metro IV; Metronidazole,(S); Prestwick_334; 2-Methyl-5-nitro-1-imidazoleethanol; IDR-90105; Cimetrol 500LPCI; Metronidazole(Flagyl); RP-8823; Metronidazole, BioXtra; Metronidazole (Flagyl); PubChem15970; Spectrum_001035; Metronidazole [USAN:USP:INN:BAN:JAN]; ACMC-209jxc; HELIDAC (Salt/Mix); Maybridge1_001999; Opera_ID_1585; Prestwick0_000081; Prestwick1_000081; Prestwick2_000081; Prestwick3_000081; Spectrum2_000883; Spectrum3_000506; Spectrum4_000060; Spectrum5_001289; (S)-Ursodeoxycholic Acid; M0924; CHEMBL137; NCIOpen2_000337; SCHEMBL23042; BSPBio_000002; BSPBio_002031; KBioGR_000559; KBioSS_001515; 5-23-05-00063 (Beilstein Handbook Reference); KSC911O0J; MLS000758286; MLS001424018; ARONIS24285; BIDD:GT0107; DivK1c_000007; SPECTRUM1500412; SPBio_000666; SPBio_001941; BAYER-5360; BPBio1_000004; DTXSID2020892; Flagyl I.V. RTU (Salt/Mix); BCBcMAP01_000184; CTK8B1704; HMS500A09; HMS547C19; KBio1_000007; KBio2_001515; KBio2_004083; KBio2_006651; KBio3_001531; KS-00000GNW; Metronidazole (JP17/USP/INN); Metronidazole, analytical standard; NINDS_000007; HMS1568A04; HMS1920N19; HMS2051G07; HMS2090B19; HMS2091F14; HMS2095A04; HMS2231E11; HMS3373O05; HMS3393G07; HMS3655E22; HMS3712A04; Pharmakon1600-01500412; ZINC113442; BCP13757; HY-B0318; Tox21_110441; Tox21_202413; Tox21_302794; ANW-30094; BBL005452; BDBM50375309; CCG-40016; FP-250; NSC757118; s1907; SBB001486; SBB041018; STK177359; Metronidazole 2.0 mg/ml in Methanol; AKOS000269646; AKOS005169650; Tox21_110441_1; CS-2358; DB00916; KS-5140; LS-1264; MCULE-6891596695; NC00020; NSC-757118; RTR-036813; TRA0003669; 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole N-(5-carboxy-5-aminopentane)carbamate; IDI1_000007; KS-000048I4; SMP1_000189; NCGC00016446-01; NCGC00016446-02; NCGC00016446-03; NCGC00016446-04; NCGC00016446-05; NCGC00016446-07; NCGC00016446-08; NCGC00016446-09; NCGC00016446-11; NCGC00016446-12; NCGC00022059-03; NCGC00022059-04; NCGC00022059-05; NCGC00256513-01; NCGC00259962-01; AC-23968; AK-77146; CPD000058175; SAM001247010; SC-46607; ST024769; SY002821; 1-hydrox yethyl-2-methyl-5-nitroimidazole; SBI-0051447.P003; AB0008438; AB2000365; DB-051212; Metronidazole, SAJ first grade, >=99.0%; TR-036813; AB00052046; BB 0218386; FT-0603394; ST24027485; SW196613-4; C07203; D00409; M-2794; 74568-EP2275420A1; 74568-EP2292612A2; 74568-EP2305640A2; 74568-EP2305662A1; 74568-EP2308857A1; AB00052046-17; AB00052046_18; AB00052046_19; A826552; Metronidazole, VETRANAL(TM), analytical standard; Q169569; 2-(2-methyl-5-nitro-1H-imidazol-1-yl)-1-ethanol; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol #; Metronidazole, Antibiotic for Culture Media Use Only; Q-201403; SR-01000000244-4; SR-01000000244-5; BRD-K52020312-001-05-2; BRD-K52020312-001-15-1; Z87001124; F1773-0073; Metronidazole, certified reference material, TraceCERT(R); Metronidazole, British Pharmacopoeia (BP) Reference Standard; Metronidazole, European Pharmacopoeia (EP) Reference Standard; Metronidazole, United States Pharmacopeia (USP) Reference Standard; Metronidazole solution, 2.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Metronidazole, Pharmaceutical Secondary Standard; Certified Reference Material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H9N3O3",
"molecular_weight": "171.15",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Less than 20% bound to plasma proteins.",
"half_life": "6-8 hours",
"absorption": "Well absorbed (at least 80%) with peak plasma concentrations achieved in 1-3 hours following oral administration of therapeutic doses of immediate release formulation.",
"cid": "4173",
"classification": "G; D; A; P; J",
"indications": "",
"side_effects": "",
"atc_codes": "A01AB17; P01AB51; G01AF20; A02BD08; D06BX01; P01AB01; J01RA04; J01RA10; A02BD11; A02BD01; G01AF01; A02BD02; J01XD01; A02BD03; J01RA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02010103",
"F020105"
],
"references": [
"RC00717",
"RC00718",
"RC00719",
"RC00736",
"RC00737",
"RC00738"
]
},
{
"compound_ID": "D0457",
"name": "nitrobenzoic acid",
"synonyms": "2-NITROBENZOIC ACID; 552-16-9; o-Nitrobenzoic acid; Benzoic acid, 2-nitro-; 2-nitrobenzoicacid; o-Carboxynitrobenzene; Benzoic acid, o-nitro-; ortho-nitrobenzoic acid; Nitrobenzoic acid; 2-nitro-benzoic acid; CCRIS 2334; 2-nitro benzoic acid; NSC 9576; EINECS 209-004-9; UNII-S6S4653K7Z; AI3-08821; CHEBI:25620; SLAMLWHELXOEJZ-UHFFFAOYSA-N; S6S4653K7Z; 2-Nitrobenzoic acid, 95%; nitro benzoic acid; 2-nitro-benzoicaci; MFCD00007137; 6-nitro-benzoic acid; PubChem22385; ACMC-1ASVT; DSSTox_CID_5738; DSSTox_RID_77900; DSSTox_GSID_25738; Oprea1_474365; SCHEMBL78205; KSC192O8B; CHEMBL114719; DTXSID5025738; SCHEMBL17461588; CTK0J2780; KS-00000CHO; ZINC80841; NSC9576; NSC-9576; Tox21_201020; AC-652; ANW-32262; BBL019769; SBB058380; STL168882; AKOS000119255; AM87062; AS04600; CS-W020072; LS-1360; MCULE-3357987129; MP-2162; RTR-019471; TRA0020042; NCGC00091364-01; NCGC00091364-02; NCGC00258573-01; AK-49895; AS-11055; BR-49895; CAS-552-16-9; SC-18492; SY005662; AB1002856; DB-024127; ST2410184; TR-019471; FT-0082641; FT-0650584; N0155; ST50186531; 52N169; BENZOIC ACID,2-NITRO MFC7 H5 N1 O4; C16234; 2-Nitrobenzoic acid, purum, >=97.0% (HPLC); 2-Nitrobenzoic acid, technical, >=85% (HPLC); 31520-EP2270010A1; 31520-EP2308858A1; 31520-EP2311816A1; 31520-EP2311817A1; 92692-EP2277869A1; 92692-EP2277870A1; 92692-EP2305649A1; AB-131/40245354; 2-Nitrobenzoic acid, Vetec(TM) reagent grade, 94%; Q-200311; Q19810380; Z57160141; 2-Nitrobenzoic acid, 95%, Contains 3- and 4-isomers; F3096-1719; InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H5NO4",
"molecular_weight": "167.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11087",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02010103",
"F020105"
],
"references": [
"RC00720",
"RC00721",
"RC00722",
"RC00739",
"RC00740",
"RC00741"
]
},
{
"compound_ID": "D0458",
"name": "buformin",
"synonyms": "Buformin; 1-Butylbiguanide; Buformine; Butylbiguanide; Butyldiguanide; Butformin; Butylbiguanidum; Glybigid; 692-13-7; 1-Butyldiguanide; Glybigidum; N-Butylbiguanide; Buformine [INN-French]; Buforminum [INN-Latin]; Buformina [INN-Spanish]; Adebit; BIGUANIDE, 1-BUTYL-; Buformin [USAN:INN]; Buformin HCl; W 37; Imidodicarbonimidic diamide, N-butyl-; Biforon; Diabrin; Panformin; Sindiatil; Andere; UNII-W2115E9C7B; Buformine HCl; N-butylimidodicarbonimidic diamide; DBV hydrochloride; H 224; EINECS 211-726-4; Butyl guanylguanidine; DBV; BRN 0607037; CHEBI:3209; Butylbiguanide hydrochloride; XSEUMFJMFFMCIU-UHFFFAOYSA-N; W2115E9C7B; NCGC00164533-01; NCGC00164533-02; C6H15N5; DSSTox_CID_26420; DSSTox_RID_81598; DSSTox_GSID_46420; Buforminum; Buformina; n-Butylbiguanidine; CAS-692-13-7; Biguanide, 1-butyl-, hydrochloride; NSC113665; SB 103; Butylbiguanid; N1-Butylbiguanide; N,n-butylbiguanide; 1-n-butylbiguanide; 2-butyl-1-(diaminomethylene)guanidine; Buformin (USAN/INN); SCHEMBL27451; 4-04-00-00582 (Beilstein Handbook Reference); CHEMBL39736; DTXSID6046420; SCHEMBL15762988; CTK2F2993; 1-butyl-3-carbamimidoyl-guanidine; ALBB-023188; ZINC4097425; Imidodicarbonimidicdiamide, N-butyl-; Tox21_112164; N-Butyldicarbonimido/ic diamide/imido; SBB056560; STL484281; AKOS003382834; AKOS006228752; Tox21_112164_1; DB04830; MCULE-5413481004; N-butyl-1-carbamimidamidomethanimidamide; NCGC00186641-01; 2-butyl-1-(diaminomethylidene)-guanidine; LS-43858; ST088005; amino[(butylamino)iminomethyl]carboxamidine; C07674; D00595; 96642-EP2287163A1; 96642-EP2305678A1; 179391-EP2275108A1; Q715104; SR-01000944701; ((1E)-1-amino-2-azahex-1-enyl)aminocarboxamidine; Imidodicarbonimidic diamide, N-butyl-, hydrochloride; SR-01000944701-1;",
"trade_name": "",
"abbrev_name": "",
"description": "anti-diabetic drug of the biguanide class",
"molecular_formula": "C6H15N5",
"molecular_weight": "157.22",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2468",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A10BA03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T020",
"T387",
"T400"
],
"function": [
"F0108",
"F02010102",
"F02010103",
"F02010202",
"F020103",
"F02040101",
"F021201",
"F05"
],
"references": [
"RC00760",
"RC00761",
"RC00765",
"RC00768",
"RC00771",
"RC00774",
"RC00778",
"RC00782",
"RC00785",
"RC00788",
"RC00791",
"RC00794",
"RC00799",
"RC00804",
"RC00809"
]
},
{
"compound_ID": "D0459",
"name": "promethazine",
"synonyms": "promethazine; Proazamine; Diphergan; 60-87-7; Promethazin; Phenargan; Phensedyl; Promazinamide; Promezathine; Protazine; Isophenergan; Diprazine; Diprozin; Fenetazina; Histargan; Prometazin; Prothazin; Provigan; Thiergan; Vallergine; Aprobit; Avomine; Dimapp; Fargan; Fenazil; Hiberna; Phargan; Procit; Prorex; Tanidil; Promethacon; Promethegan; Pyrethiazine; Lilly 1516; Prometazina; Atosil; Antiallersin; Promethazinum; Promethiazine; Camergan; Fenetazine; Iergigan; Lercigan; Phenerzine; Pilothia; Pilpophen; Pipolphene; Proazaimine; Promacot; Promergan; Promesan; Prometasin; Metaryl; Pelpica; Prometh; PromethazineHcl; Pyrethia; Lilly 01516; Phenoject-50; SKF 1498; (2-Dimethylamino-2-methyl)ethyl-N-dibenzoparathiazine; WY 509; 10-[2-(Dimethylamino)propyl]phenothiazine; N-(2'-Dimethylamino-2'-methyl)ethylphenothiazine; Pro-50; Promethazine [INN:BAN]; RP 3277; Prothazine; Dimethylamino-isopropyl-phenthiazin; Prometazina [INN-Spanish]; Promethazinum [INN-Latin]; N,N,alpha-Trimethyl-10H-phenothiazine-10-ethanamine; N-Dimethylamino-2-methylethyl thiodiphenylamine; 10-(2-Dimethylaminopropyl)phenothiazine; A-91033; NCI-C60673; 10-(2-(Dimethylamino)-2-methylethyl)phenothiazine; 3277 RP; CCRIS 7056; 10-(2-(Dimethylamino)propyl)phenothiazine; HSDB 3173; Dimethylamino-isopropyl-phenthiazin [German]; Phenothiazine, 10-(2-dimethylaminopropyl)-; EINECS 200-489-2; NSC 30321; CHEMBL643; BRN 0088554; 10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-; 10H-Phenothiazine-10-ethanamine, N,N,.alpha.-trimethyl-; CHEBI:8461; N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine; Phenothiazine, 10-[2-(dimethylamino)propyl]-; PWWVAXIEGOYWEE-UHFFFAOYSA-N; Sominex; NSC-30321; NCGC00015817-05; Prometazine; Rumergan; Valergine; DSSTox_CID_3518; DSSTox_RID_77061; DSSTox_GSID_23518; 38878-40-9; dimethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine; N,N-DIMETHYL-1-PHENOTHIAZIN-10-YL-PROPAN-2-AMINE; UNII-FF28EJQ494; CAS-60-87-7; Promethazine (JAN/INN); Phenergan base; SR-01000002993; FF28EJQ494; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine; Remsed (Salt/Mix); 3389 R.p.; Pyrethia (Salt/Mix); Pipolphen (Salt/Mix); Spectrum_000868; Prestwick0_000888; Prestwick1_000888; Prestwick2_000888; Prestwick3_000888; Spectrum2_000840; Spectrum3_001019; Spectrum4_001149; Spectrum5_000977; (.+/-.)-Promethazine; 10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-, radical ion(1+); SCHEMBL4700; Lopac0_000899; Oprea1_758749; BSPBio_000676; BSPBio_002777; KBioGR_001697; KBioSS_001348; 4-27-00-01253 (Beilstein Handbook Reference); DivK1c_000005; SPBio_000799; SPBio_002895; (Dimethylamino-2-propyl-10-phenothiazine hydrochloride; BPBio1_000744; GTPL7282; DTXSID7023518; CTK1C4979; KBio1_000005; KBio2_001348; KBio2_003916; KBio2_006484; KBio3_001997; PWWVAXIEGOYWEE-UHFFFAOYSA-; EX-A891; NINDS_000005; HMS2089E08; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine hydrochloride; NSC30321; Tox21_110227; BDBM50017696; LS-264; PROMETHAZINE (SEE ALSO PROMETHAZINE HYDROCHLORIDE 58-33-3); AKOS015962127; Tox21_110227_1; 4182 R.p.; CCG-109848; DB01069; MCULE-8146430046; RP-3277; IDI1_000005; NCGC00015817-03; NCGC00015817-04; NCGC00015817-06; NCGC00015817-08; NCGC00015817-09; NCGC00015817-10; NCGC00015817-11; NCGC00015817-12; NCGC00015817-14; NCGC00089735-02; NCGC00089735-03; AC-15939; NCI60_001878; SBI-0050874.P004; AB00053535; FT-0700342; WLN: T C666 BN ISJ B1Y1&N1&1; C07404; D00494; AB00053535-12; AB00053535_13; 10H-Phenothiazine-10-ethanamine,N,N,b-trimethyl-; L000495; Q422970; J-690333; 10H-Phenothiazine-10-ethanamine,N,.alpha.-trimethyl-; SR-01000002993-10; N,N-Dimethyl-1-(10H-phenothiazin-10-yl)-2-propanamine; N,N-Dimethyl-1-(10H-phenothiazin-10-yl)-2-propanamine #; 10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl- (9CI); InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H20N2S",
"molecular_weight": "284.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Promethazine hydrochloride is metabolized in the liver, with the sulfoxides of promethazine and N-desmethylpromethazine being the predominant metabolites appearing in the urine.",
"protein_binding": "0.93",
"half_life": "16-19 hours",
"absorption": "On average, 88% of a promethazine dose is absorbed after oral administration; however, the absolute bioavailability is only 25% because of first-pass clearance.",
"cid": "4927",
"classification": "D; V; R",
"indications": "",
"side_effects": "",
"atc_codes": "R06AD52; D04AA10; V03AB05; R06AD02",
"group": "Drug",
"drug_type": "",
"target": [
"T004",
"T213"
],
"function": [
"F02010103",
"F02010104",
"F020103",
"F02110305"
],
"references": [
"RC00885",
"RC00886",
"RC00887",
"RC00950"
]
},
{
"compound_ID": "D0460",
"name": "clomipramine",
"synonyms": "clomipramine; Chlorimipramine; 303-49-1; Monochlorimipramine; 3-Chloroimipramine; Hydiphen; Anafranil base; Anafranil (free base); 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine; Clomipraminum [INN-Latin]; Clomipramina [INN-Spanish]; Clomipramine [INN:BAN]; Clomicalm; NSC 169865; UNII-NUV44L116D; 3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine; 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-; Anafranil (TN); EINECS 206-144-2; G 34586; BRN 1323477; NUV44L116D; CHEBI:47780; 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine; 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE; 5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-; 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-; 5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-; 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine; NSC-169865; NCGC00015264-08; Chlomipramine; Clomipramina; Clomipraminum; AK122641; DSSTox_CID_2844; DSSTox_RID_76755; DSSTox_GSID_22844; G-34586; 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- (8CI); CAS-303-49-1; Clomipramine (INN); CAS-17321-77-6; 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine; HSDB 7746; 5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-; CLOMIPRIMINE; PubChem17200; Spectrum_000444; Tocris-0457; Prestwick0_000269; Prestwick1_000269; Prestwick2_000269; Prestwick3_000269; Spectrum2_001729; Spectrum3_001707; Spectrum4_000350; Spectrum5_001235; Lopac-C-7291; Biomol-NT_000151; CHEMBL415; BIDD:PXR0151; Lopac0_000307; Oprea1_312582; SCHEMBL35423; BSPBio_000118; BSPBio_003294; KBioGR_000759; KBioSS_000924; 5-20-08-00103 (Beilstein Handbook Reference); cid_68539; DivK1c_000797; SPBio_001778; SPBio_002337; C14H12ClN.C6H15N; BPBio1_000130; BPBio1_000661; GTPL2398; DTXSID6022844; BDBM77970; KBio1_000797; KBio2_000924; KBio2_003492; KBio2_006060; KBio3_002514; ZINC20248; GDLIGKIOYRNHDA-UHFFFAOYSA-N; NINDS_000797; HMS3428J14; Tox21_110117; ACM303491; BBL028455; NSC169865; PDSP1_000241; PDSP2_000240; STK534842; 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-5H-dibenz(b,f)azepine; 3-chloro-10,11-dihydro-N,N-dimethyl-5H-Dibenz(b,f)azepine-5-propanamine; AKOS001487687; Tox21_110117_1; AB05476; API0002067; CCG-110307; DB01242; DS-6718; MCULE-6443168248; 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine; IDI1_000797; NCGC00015264-01; NCGC00015264-02; NCGC00015264-03; NCGC00015264-04; NCGC00015264-05; NCGC00015264-06; NCGC00015264-07; NCGC00015264-09; NCGC00015264-10; NCGC00015264-13; NCGC00024355-02; NCGC00024355-04; NCGC00024355-05; LS-60386; SC-80642; SY246341; SBI-0050295.P003; AX8246819; AB00053695; C06918; D07727; Q58713; AB00053695-14; AB00053695_15; AB00053695_16; 303C491; L000890; 3-Chloro-5-[3-(dimethylamino)propyl]-10,f]azepine; 5H-Dibenz[b, 3-chloro-10,11-dihydro-N,N-dimethyl-; BRD-K52989797-001-01-1; BRD-K52989797-003-05-8; BRD-K52989797-003-16-5; WLN: T C676 BN & T & J B3N1 & 1 EG; 5H-Dibenz[b, 10,11-dihydro-3-chloro-5-[3-(dimethylamino)propyl]-; 5H-Dibenz[b, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-; 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride; 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine #; 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine; N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine; (3-{5-chloro-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine; 2241983-11-7; 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride; 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H23ClN2",
"molecular_weight": "314.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "~ 17 L/kg (range: 9-25 L/kg).\nClomipramine is capable of distributing into the cerebrospinal fluid, the brain, and into breast milk.",
"route_of_elimination": "Urine (51-60%) and feces via biliary elimination (24-32%)",
"protein_binding": "Clomipramine is approximately 97-98% bound to plasma proteins, principally to albumin and possibly to α<sub>1</sub>-acid glycoprotein. Desmethylclomipramine is 97-99% bound to plasma proteins.",
"half_life": "Following oral administration of a single 150 mg dose of clomipramine, the average elimination half-life of clomipramine was 32 hours (range: 19-37 hours) and of desmethylclomipramine was 69 hours (range: 54-77 hours). Elimination half-life may vary substantially with different doses due to saturable kinetics (i.e. metabolism).",
"absorption": "Well absorbed from the GI tract following oral administration. Bioavailability is approximately 50% orally due to extensive first-pass metabolism. Bioavailability is not affected by food. Peak plasma concentrations occurred 2-6 hours following oral administration of a single 50 mg dose. The peak plasma concentration ranged from 56 ng/mL to 154 mg/mL (mean, 92 ng/mL). There are large interindividual variations in plasma concentrations occur, partly due to genetic differences in clomipramine metabolism. On average, steady state plasma concentrations are achieved in 1-2 weeks following multiple dose oral administration. Smoking appears to lower the steady-state plasma concentration of clomipramine, but not its active metabolite desmethylclomipramine.",
"cid": "2801",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AA04",
"group": "Drug",
"drug_type": "",
"target": [
"T213"
],
"function": [
"F02010103",
"F02010104",
"F020103",
"F02110305"
],
"references": [
"RC00979",
"RC00888",
"RC00889",
"RC00890"
]
},
{
"compound_ID": "D0461",
"name": "imipramine",
"synonyms": "imipramine; Melipramine; Imidobenzyle; 50-49-7; Antideprin; Berkomine; Dimipressin; Melipramin; Tofranil; Intalpram; Nelipramin; Dynaprin; Janimine; Timolet; Irmin; Dpid; Dyna-zina; Impramine; Promiben; Censtim; Censtin; Imiprin; Iramil; Imipramina; Declomipramine; Imipraminum; Imizin; Tofranil, base; Psychoforin; Eupramin; Imavate; Imizine; Surplix; Imipramin; Imipramina [Italian]; 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine; Imipramine [INN:BAN]; Imipraminum [INN-Latin]; Imipramina [INN-Spanish]; N-(gamma-Dimethylaminopropyl)iminodibenzyl; N-(3-Dimethylaminopropyl)-o-iminodibenzyl; 2,2'-(3-Dimethylaminopropylimino)bibenzyl; 2,2'-(3-Dimethylaminopropylimino)dibenzyl; Tofranil (free base); SK-Pramine; UNII-OGG85SX4E4; NSC 169866; CCRIS 9173; HSDB 3100; 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine; CHEMBL11; EINECS 200-042-1; 1-(3-Dimethylaminopropyl)-4,5-dihydro-2,3,6,7-dibenzazepine; 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine; 5,6-Dihydro-N-(3-(dimethylamino)propyl)-11H-dibenz(b,e)azepine; 5-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine; 5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenzo(b,f)azepine; BRN 0256892; OGG85SX4E4; CHEBI:47499; 5,e)azepine; 5,e]azepine; BCGWQEUPMDMJNV-UHFFFAOYSA-N; 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(dimethylamino)propyl)-; 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-; 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-; NSC-169866; NCGC00015563-07; Tofranil (TN); 10,11-Dihydro-5-(3-(dimethylamino)propyl)-5H-dibenz[b,f]azepine; 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE; N-(.gamma.-Dimethylaminopropyl)iminodibenzyl; 5H-Dibenz(b,f)azepine, 5-(3-(dimethylamino)propyl)-10,11-dihydro-; Norchlorimipramine; DSSTox_CID_23881; DSSTox_RID_80080; DSSTox_GSID_43881; W-109253; 3-(10,11-dihydro-5h-dibenz[b,f]azepin-5-yl)propyldimethylamine; G-22355; 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine; 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine; CAS-50-49-7; 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine;3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine; Imipramine (INN); 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine; Janimine (hydrochloride); Tofranil (hydrochloride); CAS-113-52-0; 5H-Dibenz(b, 5-(3-(dimethylamino)propyl)-10,11-dihydro-; 5H-Dibenz[b, 5-[3-(dimethylamino)propyl]-10,11-dihydro-; Tofranil base; 5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine; 5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro-; Imizin (Salt/Mix); Imavate (Salt/Mix); Imizine (Salt/Mix); Surplix (Salt/Mix); Eupramin (Salt/Mix); Imizinum (Salt/Mix); Tofranil (Salt/Mix); PubChem21397; Spectrum_000915; Psychoforin (Salt/Mix); Prestwick0_000072; Prestwick1_000072; Prestwick2_000072; Prestwick3_000072; SK-Pramine (Salt/Mix); Spectrum2_000990; Spectrum3_000466; Spectrum4_000016; Spectrum5_000864; Lopac-I-7379; Lopac0_000702; Oprea1_200908; SCHEMBL34282; BSPBio_000283; BSPBio_002172; GTPL357; KBioGR_000391; KBioSS_001395; BIDD:GT0116; DivK1c_000559; SPBio_001059; SPBio_002204; G-22355 (Salt/Mix); BPBio1_000313; Clomipramine HCl EP Impurity B; DTXSID1043881; KBio1_000559; KBio2_001395; KBio2_003963; KBio2_006531; KBio3_001392; ZINC20245; NINDS_000559; HMS2089G08; ACM50497; ORG-2463; Tox21_110174; BDBM50010859; CCG-36485; NSC169866; STL416211; AKOS016010320; Tox21_110174_1; API0006755; DB00458; MCULE-9471074673; IDI1_000559; MRF-0000592; NCGC00015563-01; NCGC00015563-02; NCGC00015563-03; NCGC00015563-04; NCGC00015563-05; NCGC00015563-06; NCGC00015563-08; NCGC00015563-09; NCGC00015563-10; NCGC00015563-11; NCGC00015563-13; NCGC00024253-03; NCGC00024253-04; 5-(3-Dimethylaminopropyl)-10,f)azepine; AK116463; LS-60467; SY246340; SBI-0050680.P004; WLN: T C676 BN&T&J B3N1&1; 5-(3-(Dimethylamino)propyl)-10,f)azepine; AX8134492; AB00053486; FT-0697093; W0042; 5H-Dibenz[b, 10,11-dihydro-N,N-dimethyl-; C07049; D08070; Q58396; AB00053486-15; AB00053486_16; AB00053486_17; 1-(3-Dimethylaminopropyl)-4,3,6,7-dibenzazepine; L000739; BRD-K38436528-003-05-5; BRD-K38436528-003-15-4; 5H-Dibenz(b, 10,11-dihydro-5-(3-(dimethylamino)propyl)-; 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- (9CI); 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine #; 5H-Dibenz(b,5-[3-(dimethylamino)propyl]-10,11-dihydro-mixed with ethyl alcohol; Clomipramine EP Impurity B; 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine; (3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine; 2241983-10-6; InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H;",
"trade_name": "Tofranil",
"abbrev_name": "Melipramine, G-22355",
"description": "prototypical tricyclic antidepressant (TCA);a dibenzazepine-derivative",
"molecular_formula": "C19H24N2",
"molecular_weight": "280.4",
"state": "solid",
"clearance": "Imipramine has a mean clearance of 1 L/h/kg. Its active metabolite, desipramine has a mean clearance of 1.8 L/h/kg [A31907].",
"volume_of_distribution": "Imipramine has a high apparent volume of distribution of 10-20 L/kg [A31907]. The drug is known to accumulate in the brain at concentrations 30-40 times that in systemic circulation.",
"route_of_elimination": "Imipramine is primarily excreted in the urine with less than 5% present as the parent compound [A31907]",
"protein_binding": "Imipramine is 60-96% bound to plasma proteins in circulation [A31907]. It is known to bind albumin, alpha1-acid glycoprotein, and lipoproteins.",
"half_life": "Imipramine has a mean half life of 12 h. Its active metabolite, desipramine has a mean half life of 22.5 h [A31907].",
"absorption": "Rapidly and well absorbed (>95%) after oral administration [A31907]. The primary site of absorption is the small intestine as the basic amine groups are ionized in the acidic environment of the stomach, preventing movement across tissues. Bioavailability ranges from 29-77% due to high inter-individual variability. Peak plasma concentration is usually attained 2-6 hours following oral administration. Absorption is unaffected by food.",
"cid": "3696",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AA02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T213",
"T387",
"T408"
],
"function": [
"F010401",
"F0105",
"F010503",
"F0108",
"F0201",
"F02010103",
"F02010104",
"F020103",
"F020403",
"F02110305",
"F0303",
"F0504"
],
"references": [
"RC00893",
"RC00891",
"RC00892",
"RC01005",
"RC01006",
"RC03815",
"RC04075",
"RC04199",
"RC04323",
"RC04447",
"RC04653",
"RC04571",
"RC04667",
"RC04682",
"RC04886"
]
},
{
"compound_ID": "D0462",
"name": "quetiapine",
"synonyms": "quetiapine; 111974-69-7; Seroquel; Quetiapine fumarate; Quetiapine [INN:BAN]; UNII-BGL0JSY5SI; 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol; BGL0JSY5SI; CHEMBL716; Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-; CHEBI:8707; C21H25N3O2S; URKOMYMAXPYINW-UHFFFAOYSA-N; 2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol; FK949E; NCGC00095911-03; Co-Quetiapine; 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol; DSSTox_CID_3546; 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol; DSSTox_RID_77073; DSSTox_GSID_23546; quetiapina; quetiapinum; 2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol; Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-; (E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol; Quetiapine (INN); SMR000550491; Norsic (TN); Seroquel (Fumarate); CAS-111974-69-7; SR-01000759335; ZM-204636; Quetiapin; 2-{2-[4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethoxy}ethanol; HSDB 7557; GTPL50; SCHEMBL7932; MLS001165710; MLS001195658; BIDD:GT0279; SPECTRUM1505187; ETH065; DTXSID9023546; CTK8F1296; URKOMYMAXPYINW-UHFFFAOYSA-; HMS2093K06; HMS2231O11; HMS3372B05; HMS3744E21; Pharmakon1600-01505187; BCP23508; Tox21_111537; BBL029071; BDBM50095890; NSC758918; s5741; STL373578; ZINC19632628; 11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine; AKOS003588973; Tox21_111537_1; API0004010; CCG-213347; CS-1171; DB01224; NSC-758918; MRF-0000010; NCGC00095911-01; NCGC00095911-04; NCGC00095911-06; AS-35258; HY-14544; M872; SC-19077; SBI-0206776.P001; LS-172170; RT-015180; FT-0658790; 4769-EP2272537A2; 4769-EP2272841A1; 4769-EP2275420A1; 4769-EP2298731A1; 4769-EP2301936A1; 4769-EP2308867A2; 4769-EP2308870A2; 74Q697; C07397; D08456; W-5151; AB00640033-09; AB00640033-10; AB00640033_11; AB00640033_12; L001200; Q408535; SR-01000759335-5; SR-01000759335-7; BRD-K68867920-001-05-2; 2-(2-(4-dibenzo[b,f]-[1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol; 2-(2-(4-dibenzo[b,f][1,4] thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol; 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; 2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol; 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol; InChI=1/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H25N3O2S",
"molecular_weight": "383.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 10±4 L/kg",
"route_of_elimination": "Elimination of quetiapine is mainly via hepatic metabolism. Following a single oral dose of 14C-quetiapine, less than 1% of the administered dose was excreted as unchanged drug, indicating that quetiapine is highly metabolized. Approximately 73% and 20% of the dose was recovered in the urine and feces, respectively.",
"protein_binding": "0.83",
"half_life": "6 hours",
"absorption": "Rapidly and well absorbed.",
"cid": "5002",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N05AH04",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC00900"
]
},
{
"compound_ID": "D0463",
"name": "olanzapine",
"synonyms": "olanzapine; 132539-06-1; Zyprexa; Zyprexa Zydis; Olansek; Zalasta; Zyprexa Intramuscular; Zyprexa Velotab; LY-170053; Zypadhera; Lanzac; 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine; LY 170053; 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; UNII-N7U69T4SZR; LY170053; C17H20N4S; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; 10H-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; CHEMBL715; N7U69T4SZR; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; CHEBI:7735; KVWDHTXUZHCGIO-UHFFFAOYSA-N; olanzapina; NCGC00096077-03; Zolafren; DSSTox_CID_3388; 2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine; DSSTox_RID_77010; DSSTox_GSID_23388; olanzapinum; Olzapin; Midax; Oferta; Olanzapine [USAN:INN]; Olanzapine Mylan; 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; Olanzapine Teva; 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; Olanzapine (OLA); SMR000466345; Olanzapine Neopharma; CAS-132539-06-1; SR-01000759343; Olanzapin; Olanzapine (JAN/USAN/INN); LY-170052; ALKS-7921; HSDB 8155; Olanzapine [USAN:USP:INN:BAN]; Olanzapine(Zyprexa); Olanzapine (Zyprexa); KS-1090; ACMC-209wx7; GTPL47; BIDD:PXR0138; SCHEMBL28763; US8802672, Olanzapine; KSC177A9B; MLS000759457; MLS001165781; MLS001195646; MLS001424057; BIDD:GT0332; SCHEMBL117695; SPECTRUM1505024; Olanzapine (LY-170053); DTXSID9023388; Olanzapine, >=98% (HPLC); BDBM35254; BDBM82479; CHEBI:94534; CTK0H7090; CTK6I2959; KS-00000XJV; HMS2051H05; HMS2089M04; HMS2093I04; HMS2233F24; HMS3374L02; HMS3393H05; HMS3657I15; HMS3714J03; HMS3743A09; ACT03231; ALBB-027265; BCP04917; EBD23216; NSC_4585; ZINC3873830; Tox21_111556; AC-665; ANW-46937; CO0033; MFCD00866702; s2493; STK634338; STL388024; ZINC52957434; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1,5]benzodiazepine; AKOS000282888; AKOS005566122; Olanzapine 1.0 mg/ml in Acetonitrile; Tox21_111556_1; ACN-029909; BCP9001021; CCG-100922; CS-1114; DB00334; MCULE-1620364835; NC00172; NCGC00096077-01; NCGC00096077-04; NCGC00096077-05; NCGC00096077-06; NCGC00389791-02; 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaene; BR-57874; CPD000466345; HY-14541; I960; SAM001246652; SC-16244; SBI-0206786.P001; AB0013948; AB1008596; LS-152313; RT-003566; ST2417070; CAS_132539-06-1; FT-0612957; O0393; SW220248-1; A10667; C07322; D00454; J10363; S-4287; AB00639907-06; AB00639907-07; AB00639907_08; AB00639907_09; 539O061; A806453; L000455; L005958; Q201872; J-006186; SR-01000759343-4; SR-01000759343-6; Z1868057799; Olanzapine, European Pharmacopoeia (EP) Reference Standard; Olanzapine, United States Pharmacopeia (USP) Reference Standard; Olanzapine, Pharmaceutical Secondary Standard; Certified Reference Material; (E)-2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine; 2-Methyl-10-(4-methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene; 2-methyl-4-(4-methyl-1-piperazinyl) -10h-thieno[2,3-b][1,5]benzodiazepine; 2-methyl-4-(4-methyl-1-piperazinyl)-10 H -thieno[2,3- b ] [1,5]benzodiazepine; 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine #; 2-Methyl-4-(4-methylpiperazin-1-yl)-10H- thieno[2,3-b][1,5]benzodiazepin; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diazepine; 5h-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; Olanzapine for system suitability, European Pharmacopoeia (EP) Reference Standard; Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; Lanzac; Zyprexa; 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0(3),?]tetradeca-1(14),3(7),5,8,10,12-hexaene; 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0(3),]tetradeca-1(14),3(7),5,8,10,12-hexaene; Olanzapine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H20N4S",
"molecular_weight": "312.4",
"state": "solid",
"clearance": "The mean clearance rate of olanzapine is of 29.4 L/hour however, some studies have reported an apparent clearance of 25 L/h.[T554]",
"volume_of_distribution": "The volume of distribution of olanzapine is reported to be of 1000 liters which indicate a large distribution throughout the body.[A177014]",
"route_of_elimination": "Olanzapine is mainly eliminated through metabolism and hence, only 7% of the eliminated drug can be found as the unchanged form. It is mainly excreted in the urine which represents around 53% of the excreted dose followed by the feces that represent about 30%.[A177014]",
"protein_binding": "Olanzapine is largely bound to plasma proteins and hence, about 93% of the administered dose is bound. The main proteins for binding are albumin and alpha-1 acid glycoprotein.[A177014]",
"half_life": "Olanzapine presents a half-life ranging between 21 to 54 hours with an average half-life of 30 hours.[A177014]",
"absorption": "Olanzapine presents a linear pharmacokinetic profile and, after daily administration, it reaches steady-state in about a week.[A177014] Under the administration of a normal dosage of olanzapine, the steady-state plasma concentration does not seem to exceed 150 ng/ml with an AUC of 333 ng/h/ml.[A177059, T554]\n\nThe absorption of olanzapine is not affected by the concomitant administration of food. The pharmacokinetic profile of olanzapine is characterized by reaching peak plasma concentration of 156.9 ng/ml approximately 6 hours after oral administration.[T548]",
"cid": "135398745",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N05AH03",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC00902"
]
},
{
"compound_ID": "D0464",
"name": "zimelidine",
"synonyms": "Zimeldine; Zimelidine; cis-Zimelidine; (Z)-Zimelidine; Zimelidine (Z); Zimeldinum [Latin]; Zelmid; Zimeldina [Spanish]; Zimeldine [INN:BAN]; Zimelidine hydrochloride; cis-H 102/09; UNII-3J928617DW; BRN 0479680; Zimeldine hydrochloride; CHEMBL37744; (Z)-3-(4'-Bromophenyl)-3-(3''-pyridyl)dimethylallylamine; Allylamine, 3-(p-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)-; 56775-88-3; A 23140; 2-Propen-1-amine, 3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-, (Z)-; Normud; 3J928617DW; C16H17BrN2; Zimeldinum; Zimeldina; Zimelidin; 3-(4-BROMOPHENYL)-N,N-DIMETHYL-3-(3-PYRIDINYL)-2-PROPEN-1-AMINE; HSDB 7697; Prestwick2_000092; Lopac0_001280; SCHEMBL35029; 5-22-10-00534 (Beilstein Handbook Reference); H-102-09; 2-Propen-1-amine, 3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-; DTXSID6048462; CHEBI:92824; CHEBI:135357; OYPPVKRFBIWMSX-SXGWCWSVSA-N; ZINC8099545; BDBM50020706; CCG-37384; NCI305352; API0000889; DB04832; NCGC00025286-02; NCGC00025286-03; NCGC00188940-01; SBI-0051246.P002; LS-123418; C-52966; L001151; Q203483; BRD-K94173644-300-01-3; [3-(4-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine; N,N-Dimethyl-3-(3-pyridyl)-3-(4-bromophenyl)prop-2-enamine; cis -[3-(4-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine;HCl; (2Z)-3-(4-Bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-amine; [3-(4-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine (Zimelidine); [3-(4-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine(Zimeldine); N,N-Dimethyl-3-(3-pyridyl)-3-(4-bromophenyl)prop-2-enamine (Zimelidine); trans-[3-(4-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine;C2H4O4;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H17BrN2",
"molecular_weight": "317.22",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "8.4 +/- 2.0 hours for the parent compound and 19.4 +/- 3.6 hours for norzimelidine.",
"absorption": "",
"cid": "5365247",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AB02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020403"
],
"references": [
"RC04878"
]
},
{
"compound_ID": "D0465",
"name": "alpidem",
"synonyms": "ALPIDEM; 82626-01-5; Ananxyl; Alpidemum [Latin]; UNII-I93SC245QZ; SL 80.0342-00; 6-Chloro-2-(p-chlorophenyl)-N,N-dipropylimidazo(1,2-a)pyridine-3-acetamide; 2-(6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide; CHEMBL54349; I93SC245QZ; S-800342; NCGC00182850-01; 6-Chlor-2-(4-chlorphenyl)-N,N-dipropylimidazol(1,2-a)pyridin-3-acetamid; DSSTox_CID_28972; DSSTox_RID_83237; DSSTox_GSID_49046; Alpidemum; 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide; Imidazo(1,2-a)pyridine-3-acetamide, 6-chloro-2-(4-chlorophenyl)-N,N-dipropyl-; CAS-82626-01-5; Alpidem [USAN:BAN:INN]; Alpidem [USAN:INN:BAN]; C21H23Cl2N3O; Alpidem (USAN/INN); SL 80-0342; SCHEMBL122619; DTXSID8049046; BDBM22041; CTK8F7677; CHEBI:135649; ZINC599598; Tox21_113593; Alpidem, >=98% (HPLC), powder; MFCD00866978; PDSP1_000633; PDSP2_000628; 6-Chloro-2-(4-chlorophenyl)-N,N-dipropyl-imidazo[1,2-a]pyridine-3-acetamide; AKOS016014168; Tox21_113593_1; NCGC00182850-02; CC-24030; AX8113611; LS-177694; FT-0630911; D02833; SL-80.0342-00; C-21788; SR-01000944944; Q4735440; SR-01000944944-1; 2-(6-chloro-2-(4-chlorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H23Cl2N3O",
"molecular_weight": "404.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "54897",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0105",
"F0108",
"F0201",
"F020103",
"F0303"
],
"references": [
"RC00974",
"RC00975",
"RC04022",
"RC04146",
"RC04270",
"RC04394",
"RC04518"
]
},
{
"compound_ID": "D0467",
"name": "lovastatin",
"synonyms": "lovastatin; 75330-75-5; mevinolin; Mevacor; MK-803; Altoprev; Lovalord; Mevinacor; Nergadan; Artein; 6alpha-Methylcompactin; Lovalip; Hipovastin; Lovasterol; Cholestra; Closterol; Colevix; Hipolip; Lestatin; Lipofren; Lovastin; Lozutin; Paschol; Rodatin; Rovacor; Tecnolip; Teroltrat; Belvas; Lipdip; Taucor; Monacolin K; Lovastatine [French]; Lovastatinum [Latin]; Lovastatina [Spanish]; 6-alpha-Methylcompactin; Lovastatine; Altocor; Lipivas; Mevlor; Sivlor; MSD 803; MK 803; UNII-9LHU78OQFD; MLS000069585; HSDB 6534; 9LHU78OQFD; BRN 3631989; 2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone; SMR000058779; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; CHEBI:40303; C24H36O5; L-154803; Lovastatin, 98%; MFCD00072164; Lovastatin (Mevacor); (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; NCGC00023509-03; Lovastatina; Lovastatinum; DSSTox_CID_784; EN300-52515; 6-Methylcompactin; DSSTox_RID_75788; DSSTox_GSID_20784; (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone; 74133-25-8; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-; butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-; Liposcler; 6 alpha-Methylcompactin; Rextat; Monakolin K; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate; Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; CPD000673570; Mevacor (TN); Lovastatin [USAN:BAN:INN]; CHEMBL503; Lovastatin & Primycin; Lovastatin (USP/INN); SR-05000001880; (S)-2-Methylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one; CCRIS 8092; lovastatin-mevacor; 1cqp; Lovastatin,(S); ML-530B; Lovastatin [USAN:USP:INN:BAN]; (+)-mevinolin; (S)-((1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; Prestwick_819; CAS-75330-75-5; Lovastatin [USAN]; Mevinolin (lovastatin); Opera_ID_1578; Prestwick0_000516; Prestwick1_000516; Prestwick2_000516; Prestwick3_000516; Spectrum3_001873; Spectrum5_001294; Lovastatin (MK-803); EC 616-212-7; SCHEMBL3136; US9115116, lovastatin; BIDD:PXR0113; BSPBio_000471; BSPBio_001265; BSPBio_003346; cid_53232; KSC377A8D; MLS001055358; MLS006011867; US9353061, Lovastatina; ARONIS24208; BIDD:GT0749; DivK1c_001032; SPECTRUM1503977; SPBio_002392; BPBio1_000519; GTPL2739; MEGxm0_000398; DTXSID5020784; SCHEMBL14227102; ACon0_000534; ACon1_000390; BDBM34168; CTK2H7081; HMS503O05; KBio1_001032; KBio3_002848; AOB5269; C10AA02; Simvastatin impurity, lovastatin-; NINDS_001032; PCZOHLXUXFIOCF-BXMDZJJMSA-N; HMS1569H13; HMS1792O07; HMS1923O13; HMS1990O07; HMS2089M06; HMS2093O03; HMS2096H13; HMS2236F07; HMS3039N16; HMS3259F10; HMS3268C03; HMS3403O07; HMS3412H19; HMS3676H19; HMS3713H13; Pharmakon1600-01503977; (S)-((1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL) 2-METHYLBUTANOATE; 2-Methyl-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester butanoic acid; ACT02620; ALBB-027272; BB_NC-01457; Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; HY-N0504; MK-803; LOVALIP; MEVACOR; ZINC3812841; Tox21_110888; Tox21_201475; Tox21_300268; ANW-41686; BBL024473; BG0243; CCG-39627; NSC633781; NSC758662; s2061; SBB080686; STK801953; AKOS005267139; Tox21_110888_1; CS-1990; DB00227; EBD2126857; KS-1082; MCULE-4740518260; MCULE-7087866108; Mevinolin from Aspergillus sp., powder; NC00713; NSC-633781; NSC-758662; RTR-031803; IDI1_001032; NCGC00023509-04; NCGC00023509-05; NCGC00023509-06; NCGC00023509-07; NCGC00023509-08; NCGC00023509-09; NCGC00023509-10; NCGC00023509-11; NCGC00023509-13; NCGC00023509-14; NCGC00023509-16; NCGC00254157-01; NCGC00259026-01; AC-13961; CC-30040; CC-30041; G226; LS-46359; SAM002589904; SAM002589963; SC-11968; SMR000673570; SBI-0051881.P002; AB0108514; L0214; N1632; C07074; D00359; J10136; S-7779; 28048-EP2269989A1; 28048-EP2270011A1; 28048-EP2272825A2; 28048-EP2272841A1; 28048-EP2277507A1; 28048-EP2277865A1; 28048-EP2280006A1; 28048-EP2281813A1; 28048-EP2284158A1; 28048-EP2286795A1; 28048-EP2287165A2; 28048-EP2287166A2; 28048-EP2289892A1; 28048-EP2292620A2; 28048-EP2295406A1; 28048-EP2295409A1; 28048-EP2298742A1; 28048-EP2298745A1; 28048-EP2298772A1; 28048-EP2298776A1; 28048-EP2298779A1; 28048-EP2301923A1; 28048-EP2301931A1; 28048-EP2301936A1; 28048-EP2305648A1; 28048-EP2308839A1; 28048-EP2311808A1; 28048-EP2311829A1; 28048-EP2314588A1; 96638-EP2287163A1; 96638-EP2305678A1; AB00052400-17; AB00052400_18; AB00052400_19; Mevinolin from Aspergillus sp., >=98% (HPLC); 117141-EP2272825A2; 117141-EP2298776A1; 330L755; A838030; C-21799; Q417740; SR-01000000123; SR-01000000123-3; SR-05000001880-1; SR-05000001880-2; BRD-K09416995-001-06-8; BRD-K09416995-001-21-7; Z1258578375; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-8-(2-((4R,6R)-4-hydroxy-2-oxo-2H-pyran-6-yl)ethyl)-3,7-dimethylnaphtyl(S)-2-methylbutyrat; (2S)-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl-2-methyl butanoate; (2S)-2-Methylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; (2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester; (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((3R,5R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester; [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; 1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; 8-[2-((2R,4R)-4-hydroxy-6-oxo(2H-3,4,5-trihydropyran-2-yl))ethyl](1S,7S,8S,3R, 8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthyl (2S)-2-methylbutanoate; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-- oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1-alpha-(R*),3-alpha,7-beta,8-beta-(2S*,4S*),8a-beta))-; Butanoic acid, 2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester,(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta));",
"trade_name": "Mevacor",
"abbrev_name": "",
"description": "statin; treat high blood cholesterol; lipid-lowering drug and fungal metabolite; competitively inhibit the enzyme hydroxymethylglutaryl-coenzyme A (HMG-CoA) Reductase",
"molecular_formula": "C24H36O5",
"molecular_weight": "404.5",
"state": "solid",
"clearance": "The clearance rate of lovastatin is reported to be of approximate 650 L/h.[L5293]",
"volume_of_distribution": "Lovastatin is able to cross the blood-brain barrier and placenta. Its reported volume of distribution is of approximately 5000 L.[L5293]",
"route_of_elimination": "Lovastatin excretion is reported to be represented of about 10% of urine elimination and 83% of fecal elimination. The elimination through the bile is represented either by the absorbed and unabsorbed drug.[L5284]",
"protein_binding": "Lovastatin and its beta-hydroxy acid metabolites are highly protein bound, representing more than 90% of the administered dose.[A174583]",
"half_life": "Lovastatin half-life is reported to be of 4.5 hours.[L5284] The elimination half-life of the hydroxy acid form of lovastatin is reported to be of 0.7-3 hours.[A174583]",
"absorption": "Studies suggest that less than 5% of the oral dose reaches the general circulation as active inhibitors and the time to peak serum concentration is 2-4 hours. Lovastatin undergoes extensive first-pass metabolism so the availability of the drug in the system is low and variable.[L5284]\n\nThe peak concentrations of lovastatin when a dose of 10-40 mg is administered are reported to range from 1.04-4.03 ng/ml and an AUC of 14-53 ng.h/ml. This indicates that lovastatin presents a dose-dependent pharmacokinetic profile.[A174586]",
"cid": "53232",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10BA01; C10AA02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T181",
"T387",
"T408"
],
"function": [
"F010401",
"F0105",
"F0108",
"F0201",
"F020103",
"F02110103",
"F0303",
"F0504"
],
"references": [
"RC00986",
"RC00988",
"RC03456",
"RC03463",
"RC04082",
"RC04206",
"RC04330",
"RC04454",
"RC04578",
"RC04661",
"RC04675",
"RC04690"
]
},
{
"compound_ID": "D0469",
"name": "sitaxsentan",
"synonyms": "Sitaxsentan; Sitaxentan; 184036-34-8; TBC-11251; UNII-J9QH779MEM; J9QH779MEM; CHEMBL282724; IPI-1040; TBC 11251; IPI 1040; Sitaxentan [USAN:INN]; Sitaxentan (USAN/INN); DSSTox_CID_31462; DSSTox_RID_97348; DSSTox_GSID_57673; 210421-64-0; 3-Thiophenesulfonamide, N-(4-chloro-3-methyl-5-isoxazolyl)-2-((6-methyl-1,3-benzodioxol-5-yl)acetyl)-; N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide; N-(4-Chloro-3-methyl-5-isoxazolyl)-2-((2-methyl-4,5-methylenedioxyphenyl)acetyl)thiophene-3-sulfonamide; N-(4-Chloro-3-methyl-5-isoxazolyl)-2-((3,4-(methylenedioxy)-6-methylphenyl)acetyl)-3-thiophenesulfonamide; SCHEMBL803344; GTPL3950; DTXSID0057673; CHEBI:135736; PHWXUGHIIBDVKD-UHFFFAOYSA-N; BCP13848; ZINC1481831; Tox21_113725; BDBM50058126; ZINC328577260; API0009258; CS-0402; DB06268; SB19551; NCGC00253587-01; HY-76520; N-(4-Chloro-3-methyl-5-isoxazolyl)-2-((4,5-(methylenedioxy)-o-toly)acetyl)-3-thiophenesulfonamide; SC-71670; DB-065456; TBC11251 / TBC-11251; CAS-184036-34-8; FT-0701871; D07171; W-5243; Q905664; SR-01000945028; SR-01000945028-1; 2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl) amide; 2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; 2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide (Sitaxsentan); N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide.; N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide; N-(4-chloro-3-methyl-5-isoxazolyl)-2-[(6-methyl-1,3-benzodioxol-5-yl) acetyl]-3-thiophenesulphonamide; N-(4-CHLORO-3-METHYLISOXAZOL-5-YL)-2-(2-(6-METHYLBENZO-[D][1,3]DIOXOL-5-YL)ACETYL)THIOPHENE-3-SULFONAMIDE;",
"trade_name": "Thelin",
"abbrev_name": "TBC-11251",
"description": "sulfonamide class endothelin receptor antagonist (ERA) ; treatment of pulmonary arterial hypertension (PAH)",
"molecular_formula": "C18H15ClN2O6S2",
"molecular_weight": "454.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "216235",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C02KX03",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F020103"
],
"references": [
"RC00995",
"RC00996"
]
},
{
"compound_ID": "D0470",
"name": "erlotinib",
"synonyms": "Erlotinib; 183321-74-6; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; OSI-774; UNII-J4T82NDH7E; 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-; NSC 718781; CHEMBL553; J4T82NDH7E; [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE; CP358774; CHEBI:114785; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; CP-358,774; NCGC00164574-01; AK142763; [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine; DSSTox_CID_26454; DSSTox_RID_81628; DSSTox_GSID_46454; Erlotinib(Tarceva); CAS-183321-74-6; NSC718781; Erlotinib, OS-774; RG-1415; Erlotinib [INN:BAN]; SR-05000001460; CP-35877401; erlotinibum; Erotinib; R-1415; HSDB 8082; OSI 744; Erlotinib free base; nchembio866-comp3; Kinome_3317; n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride; R 1415; SCHEMBL8413; BDBM5446; BIFK0019; cid_176870; GTPL4920; QUI124; DTXSID8046454; OSI-744; QCR-100; AAKJLRGGTJKAMG-UHFFFAOYSA-N; ZX-AFC000128; HMS2089F05; HMS3244M19; HMS3244M20; HMS3244N19; HMS3713C22; HMS3745M05; AMX10161; ZINC1546066; Tox21_112202; 3615AH; AC-399; s7786; STK623143; AKOS000282911; Tox21_112202_1; API0024668; CCG-220420; CS-0620; DB00530; MCULE-7764565391; Ro-508231; SB16916; NCGC00164574-03; NCGC00164574-05; NCGC00164574-06; NCGC00164574-14; AS-35132; BCB03_000783; EN002711; HY-50896; P443; SY028059; AB0017012; AB1004620; LS-184395; AM20090621; FT-0083688; FT-0651539; ST24046689; KS-00000642; A11416; K00241; S-7717; 15214-EP2269994A1; 15214-EP2272827A1; 15214-EP2281815A1; 15214-EP2292234A1; 15214-EP2292615A1; 15214-EP2295432A1; 15214-EP2298778A1; 15214-EP2301533A1; 15214-EP2301933A1; 15214-EP2305640A2; 15214-EP2305671A1; 15214-EP2305687A1; 15214-EP2308855A1; 15214-EP2311827A1; 15214-EP2311840A1; 15214-EP2311842A2; 15214-EP2316832A1; 15214-EP2316833A1; 32334-EP2281815A1; 32334-EP2292615A1; 32334-EP2301933A1; 32334-EP2305640A2; 32334-EP2305671A1; 32334-EP2311827A1; AB01273955-01; AB01273955-02; AB01273955-03; 134172-EP2292233A2; 321E746; Q418369; SR-05000001460-1; SR-05000001460-2; SR-05000001460-3; SR-05000001460-6; BRD-K70401845-003-04-7; 4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; n-(3-ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-Quinazolinamine; Erlotinin; Erlotinib Base;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H23N3O4",
"molecular_weight": "393.4",
"state": "solid",
"clearance": "Smokers have a 24% higher rate of erlotinib clearance.",
"volume_of_distribution": "Apparent volume of distribution = 232 L",
"route_of_elimination": "Following a 100 mg oral dose, 91% of the dose was recovered in which 83% was in feces (1% of the dose as unchanged parent compound) and 8% in urine (0.3% of the dose as unchanged parent compound).",
"protein_binding": "93% protein bound to albumin and alpha-1 acid glycoprotein (AAG)",
"half_life": "Median half-life of 36.2 hours.",
"absorption": "Erlotinib is about 60% absorbed after oral administration and its bioavailability is substantially increased by food to almost 100%. Peak plasma levels occur 4 hours after dosing. The solubility of erlotinib is pH dependent. Solubility decreases pH increases. Smoking also decrease the exposure of erlotinib.",
"cid": "176870",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T408"
],
"function": [
"F0105",
"F0108",
"F0201",
"F0303"
],
"references": [
"RC01004",
"RC04059",
"RC04183",
"RC04307",
"RC04431",
"RC04555"
]
},
{
"compound_ID": "D0471",
"name": "sertraline",
"synonyms": "sertraline; 79617-96-2; (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine; (+)-Sertraline; Sertralina; Sertralinum; Sertralinum [Latin]; Sertralina [Spanish]; Zoloft; Sertraline [INN:BAN]; Lustral; Cp 51974; UNII-QUC7NX6WMB; sertraline (Zoloft); (1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine; Sertraline [Zoloft]; cis-(+)-sertraline; HSDB 7037; (1S,4S)-sertraline; QUC7NX6WMB; CHEMBL809; BRN 5753709; CHEBI:9123; VGKDLMBJGBXTGI-SJCJKPOMSA-N; 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1S,4S)-; TBA-2010_Sertraline_1; C17H17Cl2N; (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine; MLS001401398; 1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)-; Sertraline (INN); SMR000596516; SRE; NCGC00092386-03; SMR000466298; CP-519741; PubChem5865; (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride; Prestwick3_001014; Spectrum2_000493; Spectrum3_001079; Spectrum4_001232; BIDD:PXR0193; SCHEMBL28701; BSPBio_001167; BSPBio_002698; KBioGR_001724; cid_63009; MLS001195647; MLS002222308; BIDD:GT0768; REGID_for_CID_68617; SPBio_000385; BPBio1_001285; GTPL4798; DTXSID6023577; BDBM79021; CTK8B7684; KBio3_001918; cp-51974; HMS2098K09; HMS2231I09; HMS3715K09; ZINC1853550; ANW-58187; BDBM50028094; NCGC00092386; AKOS016842914; API0004164; CCG-221014; DB01104; MCULE-4360779618; NCGC00092386-04; NCGC00092386-05; NCGC00092386-06; NCGC00092386-07; NCGC00092386-08; NCGC00092386-09; NCGC00092386-10; AC-15639; CC-34407; LS-94179; SC-16114; SBI-0206734.P001; AB1004870; AX8034967; TR-025284; AB00514002; FT-0081122; FT-0630872; C-4401; C07246; D02360; EN300-150167; AB00514002_17; AB00514002_18; 617S962; A839725; C-19042; Q407617; SR-01000759296; SR-01000759296-5; BRD-K82036761-003-02-1; BRD-K82036761-003-07-0; BRD-K82036761-003-20-3; [(1S,4S)-4-(3,4-dichlorophenyl)tetralin-1-yl]-methyl-amine;hydrochloride; syn-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine; (1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-naphthalenamine; 1-Naphthalenamine,1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)-; (1S-cis)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine; (+)-Sertraline; Sertraline;",
"trade_name": "Zoloft",
"abbrev_name": "",
"description": "antidepressant; a selective serotonin reuptake inhibitor (SSRI)",
"molecular_formula": "C17H17Cl2N",
"molecular_weight": "306.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Sertraline and its metabolites are excreted via both renal and fecal elimination. In a study of radiolabeled sertraline involving two healthy male subjects, about 40-45% of total radioactivity was observed in 9 days post-administration [FDA Label] with negligible amount (<0.2%) of unchanged parent compound detected [L1373]. For the same period, 40-45% of total radioactivity was also accounted for in feces, where 12-14% of the radioactivity was unchanged sertraline [FDA Label].",
"protein_binding": "In vitro protein binding studies indicate that sertraline is highly bound to serum proteins (98%) in the range of 20 to 500 ng/mL [FDA Label], predominantly to albumin and α<sub>1</sub>-acid glycoprotein [A1846].",
"half_life": "The elimination half-life of sertraline is approximately 25-26 hours. The elimination half-life of desmethylsertraline is approximately 62-104 hours [FDA Label].",
"absorption": "Following once-daily administration over the range of 50 to 200 mg for 14 days, mean peak plasma concentrations (Cmax) of sertraline occurred between 4.5 to 8.4 hours post-administration [FDA Label]. The steady-state concentrations are reached after 1 week following once-daily administration, and approximately two-fold accumulation up to steady-state concentrations is observed [FDA Label]. The single dose bioavailability of sertraline tablets is approximately equal to an equivalent dose of sertraline oral solution [FDA Label].\n\nThe effects of food on the bioavailability of the sertraline tablet and oral concentrate were studied in subjects administered a single dose with and without food. For the tablet, AUC was slightly increased when drug was administered with food but the Cmax was 25% greater, while the time to reach peak plasma concentration (Tmax) decreased from 8 hours post-dosing to 5.5 hours. For the oral concentrate, Tmax was slightly prolonged from 5.9 hours to 7.0 hours with food.",
"cid": "68617",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AB06",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T004",
"T005",
"T409"
],
"function": [
"F0201",
"F020103",
"F020403",
"F0306",
"F030802"
],
"references": [
"RC01008",
"RC04747",
"RC04749",
"RC04751",
"RC04753",
"RC04755",
"RC04757",
"RC04759",
"RC04761",
"RC04763",
"RC04894"
]
},
{
"compound_ID": "D0472",
"name": "zoniporide",
"synonyms": "UNII-8841R2UJPG; 8841R2UJPG; Zoniporide [INN:BAN]; DTXSID0057883; CP-597396; CP-597,396; Q27269884; N-Carbamimidoyl-5-cyclopropyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxamide;",
"trade_name": "",
"abbrev_name": "",
"description": "inhibition of sodium-hydrogen exchanger isoform 1 (NHE-1)",
"molecular_formula": "C17H16N6O",
"molecular_weight": "320.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "135564783",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01010",
"RC04879",
"RC04900"
]
},
{
"compound_ID": "D0473",
"name": "pentamidine",
"synonyms": "PENTAMIDINE ISETHIONATE; 140-64-7; Pentamidine isethionate salt; Pentamidine diisethionate; 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate); Pentamidine isetionate; Pentamidine (isethionate); Pentacarinat; Diamidine; Lomidine; UNII-V2P3K60DA2; Pneumopent; Lomidin; Pentamidine isothionate; Lomidine isoethionate; PENTAM; RP 2512; CHEBI:7977; V2P3K60DA2; 1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt); 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate); USAF XR-10; CCRIS 1660; 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate; NCGC00017022-05; Pentamidine diisetionate; CAS-140-64-7; 4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate); EINECS 205-424-1; DSSTox_CID_3796; p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate); WR 4931; 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid; DSSTox_RID_77194; DSSTox_GSID_23796; W-108199; M & B 800; R.P. 2512; 4,4'-(pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethane-1-sulfonate); 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate);4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate); bis(2-hydroxyethane-1-sulfonic acid); 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide; 4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate); MB 800; SR-01000075174; Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1); 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethanesulfonic acid); Prestwick_857; Pentamidine isethionate [USAN:USP]; Pentamidin-Isethionat; Pentaminide isetionate; pentamidine-isethionate; PubChem20964; Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate); 2512 R.P.; Pentam 300 (TN); SCHEMBL33615; OCZ103-OS; Pentamidine isetionate (JAN); SPECTRUM1500641; CHEMBL361506; Pentamidine isethionate (USAN); DTXSID5023796; CTK8B5397; HMS501D11; HY-B0537B; HMS1569P07; HMS1921M19; HMS2096P07; HMS3713P07; C23H36N4O10S2; Pentamidine isethionate salt, 97%; KS-00000Z9I; Pentamidine isethionate salt, powder; Tox21_110742; Tox21_201722; Tox21_300312; ANW-48586; CCG-39715; MFCD00079213; AKOS015914189; Tox21_110742_1; API0003784; CS-4133; KS-5289; MCULE-6357662093; NCGC00017022-01; NCGC00017022-02; NCGC00017022-03; NCGC00017022-04; NCGC00091927-01; NCGC00091927-02; NCGC00091927-03; NCGC00091927-04; NCGC00179034-07; NCGC00254121-01; NCGC00259271-01; AK-51766; BR-51766; M808; AB0015398; AX8027505; ST2407516; TC-137331; 4CH-018037; FT-0631814; P-155; ST51006692; D00834; S-3112; 140P647; C-23299; SR-01000075174-1; SR-01000075174-6; SR-01000075174-7; Q26841221; Z1558572531; 1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt).; 4,4'-(Pentamethylenedioxy)dibenzamidine bis-2-hydroxyethanesulfonate salt; Pentamidine diisetionate, European Pharmacopoeia (EP) Reference Standard; Pentamidine isethionate, United States Pharmacopeia (USP) Reference Standard; 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate); [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate); 2-Hydroxyethane-1-sulfonic acid--4,4'-[pentane-1,5-diylbis(oxy)]di(benzene-1-carboximidamide) (2/1); 4-[5-(4-amidinophenoxy)pentyloxy]benzenecarboxamidine, 2-hydroxyethanesulfonic acid, 2-hydroxyethanesulfonic acid;",
"trade_name": "Nebupent, Pentam,",
"abbrev_name": "",
"description": "antimicrobial",
"molecular_formula": "C23H36N4O10S2",
"molecular_weight": "592.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8813",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P01CX01",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F010503",
"F020103"
],
"references": [
"RC01011",
"RC01012",
"RC03814"
]
},
{
"compound_ID": "D0474",
"name": "ritonavir",
"synonyms": "",
"trade_name": "Norvir",
"abbrev_name": "RTV",
"description": "antiretroviral; HIV protease inhibitor",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "The metabolites are detected in the urine and feces.",
"protein_binding": "Highly protein-bound, 98-99% [A19647].",
"half_life": "3-5 hours [A19647].",
"absorption": "The absolute bioavailability of ritonavir has not been determined.",
"cid": "X",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J05AR10; J05AR23; J05AE03; J05AP53; J05AP52",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F020103",
"F0303"
],
"references": [
"RC01013",
"RC04117",
"RC04241",
"RC04365",
"RC04489",
"RC04613"
]
},
{
"compound_ID": "D0475",
"name": "para-nonylphenol",
"synonyms": "4-nonylphenol; 4-n-Nonylphenol; p-Nonylphenol; 104-40-5; Phenol, 4-nonyl-; para-Nonylphenol; p-n-Nonylphenol; 4-nonyl phenol; Phenol, p-nonyl-; Phenol, nonyl derivs.; Nonylphenol (mixed); p-nonyl phenol; para Nonyl phenol; p -n -Nonylphenol; 4-Nonyl-Phenol; 4-n-Nonyl phenol; CCRIS 1251; HSDB 5359; EINECS 203-199-4; BRN 2047450; DTXSID5033836; CHEBI:34440; IGFHQQFPSIBGKE-UHFFFAOYSA-N; MFCD00002396; 68081-86-7; P-NONYLPHENOL (ENDOCRINE DISRUPTER); DSSTox_CID_1857; DSSTox_RID_79098; DSSTox_GSID_33836; 4-NP; CAS-104-40-5; C9-Alkylated phenol; (C9)Alkylated phenol; UNII-I03GBV4WEL; 1-(4-Hydroxyphenyl)nonane; nonyl-phenol; p-nonyl-phenol; Para-nonyl phenol; EINECS 268-359-8; 211947-56-7; Spectrum_001973; SpecPlus_000624; Spectrum2_001832; Spectrum3_000872; Spectrum4_000712; Spectrum5_002066; 4-Nonyl Phenol-13C6; 4-n-Nonylphenol, 85%; 4-n-Nonylphenol, 98%; I03GBV4WEL; BIDD:PXR0002; SCHEMBL15887; BSPBio_002543; KBioGR_001263; KBioSS_002539; SPECTRUM330085; 3-06-00-02067 (Beilstein Handbook Reference); KSC180Q2T; BIDD:ER0006; DivK1c_006720; SPBio_001903; CHEMBL153062; CTK0I0829; KBio1_001664; KBio2_002530; KBio2_005098; KBio2_007666; KBio3_002043; 4-Nonylphenol, analytical standard; ZINC1850497; Tox21_201241; Tox21_303647; BDBM50410532; CCG-39613; LMPK15010001; LS-375; SBB059316; STL453644; AKOS015888197; MCULE-5930378829; RTR-000982; TRA0078987; NCGC00090918-01; NCGC00090918-02; NCGC00090918-03; NCGC00090918-05; NCGC00090918-06; NCGC00090918-07; NCGC00090918-08; NCGC00257420-01; NCGC00258793-01; CC-20192; TR-000982; FT-0619310; ST50827096; 4-n-Nonylphenol 10 microg/mL in Acetonitrile; 4-n-Nonylphenol 10 microg/mL in Cyclohexane; 4-n-Nonylphenol 100 microg/mL in Cyclohexane; C14550; 4-Nonylphenol, PESTANAL(R), analytical standard; C-33468; SR-05000002459; J-001167; Q4545806; SR-05000002459-1; 4-Nonylphenol, certified reference material, TraceCERT(R);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H24O",
"molecular_weight": "220.35",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1752",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001062"
],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01015",
"RC01118",
"RC01401"
]
},
{
"compound_ID": "D0476",
"name": "beclomethasone",
"synonyms": "beclomethasone; Beclometasone; 4419-39-0; Beclometasona; Beclometasonum; Beclometasonum [INN-Latin]; Beclometasona [INN-Spanish]; Beclomethasone Solution; UNII-KGZ1SLC28Z; C22H29ClO5; Beclometasone [INN]; MLS000028668; BMJ 5800; EINECS 224-585-9; KGZ1SLC28Z; SMR000058899; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; CHEBI:3001; Beclometasone (INN); (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 9alpha-Chloro-16beta-methylprednisolone; NCGC00164402-01; DSSTox_CID_20750; DSSTox_RID_79587; DSSTox_GSID_40750; (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-; CAS-4419-39-0; Beclometasone [INN:BAN]; pulvinal; Beclocort; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione (Beclometasone); Beclometason (TN); Opera_ID_1081; SCHEMBL3183; CHEMBL1586; cid_20469; MLS001076089; BIDD:GT0556; GTPL7059; DTXSID5040750; BCBcMAP01_000159; BDBM53488; 9alpha-Chloro-16beta-methyl-1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione; NBMKJKDGKREAPL-DVTGEIKXSA-N; HMS2233A18; HY-B1540; ZINC4097285; Tox21_112116; 8060AH; MFCD00135614; Tox21_112116_1; API0001600; CS-5872; SMP1_000039; NCGC00179392-03; AS-58067; SC-65670; LS-174992; FT-0662507; C06842; D07495; 20528-EP2295402A2; 20528-EP2295409A1; 20528-EP2314585A1; 20528-EP2314590A1; 179957-EP2272832A1; SR-01000000273; SR-01000000273-4; Beclometasone. Short expiry date due to chemical nature of component(s); 9alpha-Chloro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; Beclometasone; (1R,2S,10S,11S,13S,14R,15S,17S)-1-Chloro-14-(2-glycoloyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H29ClO5",
"molecular_weight": "408.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "20469",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F020103"
],
"references": [
"RC01017"
]
},
{
"compound_ID": "D0477",
"name": "bicalutamide",
"synonyms": "bicalutamide; 90357-06-5; Casodex; Cosudex; Calutide; ICI 176334; ICI-176334; Bicalutamide (CDX); N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide; Bicalutamide (Casodex); CHEMBL409; BRN 5364666; LKJPYSCBVHEWIU-UHFFFAOYSA-N; (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide; N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide; C18H14F4N2O4S; ICI 176,334; CPD000466329; Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-; Raffolutil; Kalumid; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide; Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-; SMR000466329; Casodex (TN); Bicalutamide [USAN:INN:BAN]; Bicalutamide(Casodex); SR-01000759410; Bicalutamine; Bicalutamide (JAN/USP/INN); CCRIS 8728; HSDB 7655; Bicalutamide [USAN:USP:INN:BAN]; Bicalutamide, 97%; KS-1161; Bicalutamide - Casodex; PubChem18237; SCHEMBL3611; MLS000759437; MLS001424047; GTPL2863; PRO113; DTXSID2022678; BDBM18525; CHEBI:91617; KS-00000XEI; AOB5596; EX-A962; CHEBI:144093; BCPP000337; HMS2051B13; HMS2089N12; HMS2232H03; HMS3263M13; HMS3372K05; HMS3393B13; HMS3654K18; HMS3714P13; Pharmakon1600-01504827; (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide; ACT06291; BCP02110; Tox21_501026; CB0180; MFCD00869971; NSC722665; NSC759816; s1190; AKOS015895073; AC-4232; API0001710; AT-9158; BCP9000408; CCG-100951; CCG-220876; CCG-222330; CS-1296; DB01128; LP01026; NC00201; NSC-722665; NSC-759816; SB17301; N-(4-cyano-3-(trifluoromethyl)phenyl); NCGC00167977-01; NCGC00167977-02; NCGC00167977-03; NCGC00167977-09; NCGC00261711-01; AK544272; HY-14249; ICI176,334-1; SAM001246612; SC-17332; AB0008136; DB-041165; LS-119125; B3206; FT-0080576; FT-0618286; SW197581-4; Bicalutamide (CDX), >=98% (HPLC), powder; C08160; D00961; J10442; AB00639963-06; AB00639963-08; AB00639963-09; AB00639963_10; 357B065; A803039; Q1988832; SR-01000759410-4; SR-01000759410-5; BRD-A29485665-001-03-7; Bicalutamide, British Pharmacopoeia (BP) Reference Standard; Bicalutamide, European Pharmacopoeia (EP) Reference Standard; Bicalutamide, United States Pharmacopeia (USP) Reference Standard; 4'-cyano-3-[(4- fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide; 4'-cyano-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide; Bicalutamide for system suitability, European Pharmacopoeia (EP) Reference Standard; Bicalutamide, Pharmaceutical Secondary Standard; Certified Reference Material; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanyl-propanamide; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide; N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropionamide; N-[4-cyano-3-trifluoromethyl-phenyl]-3-[4-fluorophenyl-sulfonyl]-2-hydroxy-2-methyl-propionamide; propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-,(+-);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H14F4N2O4S",
"molecular_weight": "430.4",
"state": "solid",
"clearance": "* Apparent oral cl=0.32 L/h [Normal Males]",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "0.96",
"half_life": "5.9 days",
"absorption": "Bicalutamide is well-absorbed following oral administration, although the absolute bioavailability is unknown.",
"cid": "2375",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L02BB03; L02AE51",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020103"
],
"references": [
"RC01018"
]
},
{
"compound_ID": "D0478",
"name": "danazol",
"synonyms": "danazol; Danocrine; 17230-88-5; Chronogyn; Danol; Winobanin; Cyclomen; Danazolum; Danzol; Ladogal; Danazole; Danokrin; Danatrol; Danazolum [INN-Latin]; WIN 17757; UNII-N29QWW3BUO; WIN-17757; CCRIS 6747; EINECS 241-270-1; N29QWW3BUO; NSC 270916; Danovaol; 17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol; 17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol; 17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol; CHEBI:4315; anatrol; NCGC00164400-01; Danogen; Danoval; Panacrine; Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)-; DSSTox_CID_2880; WIN 17,757; DSSTox_RID_76772; DSSTox_GSID_22880; (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; Bonzol; Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)-; Danocrine (TN); SMR000058321; Danazol [USAN:BAN:INN:JAN]; Vasaloc; Optina; NSC270916; NSC-270916; Danazol, USP; Win 17, 757; Prestwick_150; CAS-17230-88-5; Danazol [USAN:USP:INN:BAN:JAN]; ethynyl(dimethyl)[?]ol; 2,3-Isoxazolethisterone; Prestwick0_000105; Prestwick1_000105; Prestwick2_000105; Prestwick3_000105; CHEMBL1479; SCHEMBL21107; BSPBio_000090; (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol; MLS001066617; MLS001306473; Danazol (JP17/USP/INN); SPBio_002029; BPBio1_000100; GTPL6942; DTXSID2022880; 17-alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol; 2,4,17alpha-Pregnadien-20-yno[2,3-d]-isoxa-zol-17-ol; Win-17,757; HMS1568E12; HMS2090A22; HMS2095E12; HMS2231M08; HMS3259M10; HMS3712E12; [1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol; 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol}; BCP11914; HY-B1029; ZINC3881958; Tox21_112114; Tox21_301940; BDBM50423541; s9506; AKOS015961192; Tox21_112114_1; AC-6836; API0002209; CCG-220105; CS-4547; DB01406; MCULE-5533294331; NC00557; NCGC00179665-01; NCGC00179665-02; NCGC00179665-04; NCGC00255335-01; 1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; AS-13035; LS-118524; C06938; D00289; 199957-EP2272825A2; 199957-EP2275420A1; 230D885; Q419652; SR-01000760722; SR-05000000445; SR-01000760722-2; SR-05000000445-2; W-107864; 17a-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol; BRD-K48970916-001-03-0; (17a)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol; 17a-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol; 17 alpha-pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol; Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol,} (17.alpha.)-; (1R,3aS,3bR,10aR,10bS,12aS)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol; 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazole- pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol deriv.;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H27NO2",
"molecular_weight": "337.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "Approximately 24 hours.",
"absorption": "",
"cid": "28417",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G03XA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020103"
],
"references": [
"RC01019"
]
},
{
"compound_ID": "D0479",
"name": "ethynodiol diacetate",
"synonyms": "ETHYNODIOL DIACETATE; 297-76-7; Femulen; Continuin; Ethinodiol diacetate; Etynodiol Acetate; Cervicundin; Metrodiol; Luto-metrodiol; Metrodiol diacetate; Ethynodiol (diacetate); Ethynodiol acetate; Etynodiol diacetate; Etynodiol di(acetate); Ovulen 50; 19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate; 17a-Ethynyl-4-estren-3b,17-diol diacetate; CCRIS 305; SC 11800; SC-11800; CHEBI:31580; Ethynodiol diacetate [Progestins]; UNII-62H10A1236; EINECS 206-044-9; 17-alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate; 3-beta, 17-beta-Diacetoxy-17-alpha-ethynyl-4-oestrene; 17-alpha-Ethynylestr-4-ene-3-beta,17-beta-diol acetate; (3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate; 17-alpha-Ethynyl-4-estrene-3-beta,17-beta-diol diacetate; 3-beta,17-beta-Diacetoxy-19-nor-17-alpha-pregn-4-en-20-yne; (3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol diacetate; 17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol diacetate; 17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate; 17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate; 3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene; 17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate; [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NCGC00166138-01; 3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne; 19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol diacetate; 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate; 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3beta,17alpha)-; DSSTox_CID_614; 62H10A1236; DSSTox_RID_75690; DSSTox_GSID_20614; 19-norpregn-4-en-20-yn-3beta,17alpha-diol, diacetate; Ethynodiol diacetate [USAN]; (3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate; 8080 C. B.; Ethynodiol diacetate (JAN/USP); Ethynodiol diacetate [USAN:USP]; NCGC00186466-01; ethynodiol-diacetate; CAS-297-76-7; Prestwick0_000908; Prestwick1_000908; Prestwick2_000908; Prestwick3_000908; SCHEMBL40888; BSPBio_000756; MLS000028661; SPBio_002955; 17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate; BPBio1_000832; GTPL7072; CHEMBL1200624; DTXSID4020614; ONKUMRGIYFNPJW-KIEAKMPYSA-N; HMS1570F18; HMS2097F18; HMS3714F18; 19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol, diacetate; BCP10923; HY-B1089; ZINC3876023; Tox21_112333; Tox21_112924; (3 beta, 17 alpha)-19-Norpregn-4-en-20-yne-3,17 diol Diacetate; BDBM50237627; LMST02030124; s3160; AKOS015895252; Tox21_112333_1; 8080 CB; CCG-220908; CS-4640; DB00823; EBD2209572; LS-7392; NCGC00166138-02; NCGC00166138-04; NCGC00166138-05; AK129080; AS-13382; CC-28314; I036; SMR000058858; 8080 C. B; AB00513958; B1508; C12724; D01294; AB00513958_02; 297E767; A820050; C-21409; SR-01000872687; J-017631; Q5405160; SR-01000872687-1; 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3b,17a)-; (3beta,17alpha)-19-Norpregn-4-en-20-yne-3,17-diyl diacetate; Ethynodiol diacetate, United States Pharmacopeia (USP) Reference Standard; [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate; acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H32O4",
"molecular_weight": "384.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "50-85%",
"half_life": "",
"absorption": "",
"cid": "9270",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01020",
"RC01929",
"RC02550",
"RC03171"
]
},
{
"compound_ID": "D0480",
"name": "ezlopitant",
"synonyms": "Ezlopitant; UNII-3L098A8MPY; 147116-64-1; CJ-11974; 3L098A8MPY; CHEMBL515966; Ezlopitant (USAN/INN); Ezlopitant [USAN:INN]; SCHEMBL383011; GTPL5751; SCHEMBL9069731; BDBM50262567; CJ11974; CJ 11974; CJ-11, 974; D04122; Q1386050; (2S,3S)-2-(Diphenylmethyl)-3-((5-isopropyl-2-methoxybenzyl)amino)quinuclidine; 2beta-(Diphenylmethyl)-3beta-(2-methoxy-5-isopropylbenzylamino)-1beta,4beta-ethanopiperidine; ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(5-isopropyl-2-methoxy-benzyl)-amine; (7S,8S)-7-[di(phenyl)methyl]-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine; 1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxy-5-(1-methylethyl)phenyl)methyl)-, (2S-cis)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C31H38N2O",
"molecular_weight": "454.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "188927",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01021"
]
},
{
"compound_ID": "D0481",
"name": "procarbazine",
"synonyms": "procarbazine; 671-16-9; Procarbazin; Ibenzmethyzin; Natulan; Ibenzmethyzine; Procarbazin [German]; Procarbazina; Procarbazinum; Procarbazinum [INN-Latin]; Procarbazina [INN-Spanish]; N-Isopropyl-4-((2-methylhydrazinyl)methyl)benzamide; Procarbazine [INN:BAN]; 2-(p-Isopropylcarbamoylbenzyl)-1-methylhydrazine; p-(2-Methylhydrazinomethyl)-N-isopropylbenzamide; 1-Methyl-2-(p-(isopropylcarbamoyl)benzyl)hydrazine; 4-((2-Methylhydrazino)methyl)-N-isopropylbenzamide; Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-; Ro 4-6467; N-4-Isopropylcarbamoylbenzyl-N'-methylhydrazine; N-(1-Methylethyl)-4-((2-methylhydrazino)methyl)benzamide; N-Isopropyl-p-(2-methylhydrazinomethyl)-benzamide; N-Isopropyl-alpha-(2-methylhydrazino)-p-toluamide; CB 400-497; CCRIS 2389; MIH; N-Isopropyl-4-[(2-methylhydrazino)methyl]benzamide; UNII-35S93Y190K; C12H19N3O; HSDB 3250; N-(1-Methylethyl)-4-[(2-methylhydrazino)methyl]benzamide; Procarbazine Monohydrochloride; EINECS 211-582-2; PCX; p-(N'-Methylhydrazinomethyl)-N-isopropylbenzamide; BRN 0958270; Ro 4-6467/1; Benzamide, N-(1-methylethyl)-4-((2-methylhydrazino)methyl)-; CHEBI:71417; p-Toluamide, N-isopropyl-alpha-(2-methylhydrazino)-; 35S93Y190K; p-Toluamide, N-isopropyl-.alpha.-(2-methylhydrazino)-; 4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide; Procarbazine (INN); NCGC00016438-01; CAS-366-70-1; IBZ; SR-01000763375; SRI-10847; 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide; MBH (Salt/Mix); Matulane (Salt/Mix); Nathulane (Salt/Mix); Natunalar (Salt/Mix); Prestwick0_001112; Prestwick1_001112; Prestwick2_001112; Prestwick3_001112; DSSTox_CID_1189; SCHEMBL4656; CHEMBL1321; DSSTox_RID_75999; NCIOpen2_004074; DSSTox_GSID_21189; BSPBio_001244; BIDD:GT0183; SPBio_003112; BPBio1_001369; GTPL7278; DTXSID4021189; CPTBDICYNRMXFX-UHFFFAOYSA-N; HMS2090J09; Pharmakon1600-01502326; RO-4-6467 FREE BASE; BCP12198; Tox21_301738; 0319AC; NSC759626; STL483417; ZINC19166988; AKOS015891211; AC-4547; API0006342; CCG-213031; DB01168; LS-7671; MCULE-9065058360; NSC-759626; NCGC00016438-02; NCGC00016438-05; NCGC00255280-01; AK116452; CAS-671-16-9; CC-33928; NCI60_041703; Ro-4-6467/1; SRI-10847-09; SRI-10847-10; SRI-10847_11; SRI-10847_13; AX8149098; DB-082065; RO-4-6467; FT-0737820; C07402; D08423; 671P169; C-23731; Q418656; N-Isopropyl-.alpha.-(2-methylhydrazino)-p-toluamide; SR-01000763375-3; N-Isopropyl-4-[(2-methylhydrazino)methyl]benzamide #; 4-[(2-methylhydrazinyl)methyl]-N-(propan-2-yl)benzamide; Benzamide, N-(1-methylethyl)-4-((2-methylhydrazino)methyl)- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H19N3O",
"molecular_weight": "221.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "10 minutes",
"absorption": "Procarbazine is rapidly and completely absorbed.",
"cid": "4915",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XB01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01022"
]
},
{
"compound_ID": "D0482",
"name": "retinoic acid",
"synonyms": "Retinoic acid; tretinoin; 302-79-4; Vitamin A acid; all-trans-Retinoic acid; trans-Retinoic acid; ATRA; Airol; Retin-A; Vesanoid; Renova; all-trans-Vitamin A acid; Dermairol; Aknoten; Aberel; Eudyna; All-trans Retinoic Acid; Aknefug; Cordes vas; Epi-aberel; Tretin M; Atralin; all-trans-Vitamin A1 acid; all-trans-Tretinoin; Retionic acid; All Trans Retinoic Acid; TRETINON; Vitamin A1 acid, all-trans-; Retin-A Micro; beta-Retinoic acid; all-(E)-Retinoic acid; Vitamin A acid, all-trans-; Effederm; Retinoic acid, all-trans-; Alltrans-retinoic acid; beta-Ra; Aberela [Norway]; Avitoin [Norway]; Acnavit [Denmark]; Effederm [France]; Retacnyl; Vesnaroid; NSC-122758; Ro 1-5488; A-Acido (Argentina); Tretinoin, all-trans-; all trans-Retinoic acid; Cordes VAS [Germany]; Retin A; Stieva-A; A-Vitaminsyre [Denmark]; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid; Tretinoine [INN-French]; Tretinoinum [INN-Latin]; Tretinoina [INN-Spanish]; Tretinoino [INN-Spanish]; Tretinoine; Solage; all-trans-beta-Retinoic acid; .beta.-Retinoic acid; Vitamin a acid, trans-; 15-Apo-beta-caroten-15-oic acid; Acid A Vit (Belgium, Netherlands); UNII-5688UTC01R; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; CCRIS 3294; (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; MLS000028588; b-Retinoic acid; RETINOIC ACID, ALL TRANS; HSDB 2169; Tretinoin/All-Trans Retinoic Acid; AT-RA; CHEMBL38; (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid; 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-; EINECS 206-129-0; MFCD00001551; NSC122758; NSC 122758; BRN 2057223; Atragen; Retinova; SMR000058245; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid; CHEBI:15367; SHGAZHPCJJPHSC-YCNIQYBTSA-N; 5688UTC01R; Tretinoin (TN); AGN 100335; REA; 9-cis-RA; Retin A (TN); NCGC00017280-10; Tretinoinum; Aberela; Acnavit; Avitoin; Betarretin; CPD000058245; Tretinoina; Tretinoino; A-Vitaminsyre; all-trans-b-Retinoic acid; DSSTox_CID_1239; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL); 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid; DSSTox_RID_76031; DSSTox_GSID_21239; trans-Retinoate; beta-Retinoate; all-trans-Retinoic acid, 97%; tretinoine (French) (EINECS); cis-Retinoic acid; Acide retinoique (French) (DSL); Refissa; Nexret; Avita Gel; Retisol-A; tretinoin liposome; 4759-48-2; 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid; 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid; (11Z)-retinoic acid; Tretinoin [USAN:INN:BAN]; [3H]Retinoic acid; Renova (TN); Avita (TN); SR-01000000239; Tretinoin (Retinoic acid); Tretinoin (JAN/USP/INN); TNP00194; BML2-E05; 1cbr; [3H]tretinoin; [All-E]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; Tretinoin 0.1% cream or placebo; Tretinoin [USAN:USP:INN:BAN]; Tretinoin(Aberela); (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetr aenoic acid; CAS-302-79-4; Prestwick_424; all-(E)-Retinoate; Tretinoine (French); Retinoic acid, cis-; (5E)-Retinoic acid; [3H]Vitamin A acid; PDT-002-002; PubChem16466; 1n4h; Retinoic acid all trans; 6-s-trans-retinoic acid; Vitamin-A-sA currencyure; Opera_ID_1055; Prestwick2_000257; Prestwick3_000257; Spectrum5_001746; Spectrum5_001933; acide retinoique (French); Vesanoid (TN) (Roche); Tretinoin - Retinoic Acid; bmse000562; UPCMLD-DP097; R 2625; Renova (0.02% cream); SCHEMBL3145; (9Z,13Z)-Retinoic acid; Altreno (0.05% lotion); BIDD:PXR0081; Lopac0_001061; Avita (0.025% gel); BSPBio_000074; BSPBio_001500; MLS001076515; MLS002207234; MLS002222211; MLS002548861; MLS006010222; ARONIS25153; BIDD:GT0483; SPECTRUM1502016; 9-cis-retinoic acid (9cRA); [3H]RA; BPBio1_000082; cid_444795; GTPL2644; .beta.-all-trans-Retinoic acid; all-trans-retinoic acid (ATRA); DTXSID7021239; SCHEMBL19091395; BDBM31883; HMS502N05; QCR-120; BCPP000036; BDBM323588; HMS1361K22; HMS1568D16; HMS1791K22; HMS1921D14; HMS1989K22; HMS2089D20; HMS2092N11; HMS2095D16; HMS2236N03; HMS3259E11; HMS3263E04; HMS3402K22; HMS3411B09; HMS3675B09; HMS3712D16; Pharmakon1600-01502016; Retinoic acid, all-trans- (8CI); ACT00012; BCP01405; Isotretinoin;(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid; US10188615, at-RA; Tox21_110812; Tox21_202330; Tox21_300305; Tox21_501061; All-trans Retinoic Acid (Tretinoin); CCG-39912; LMPR01090019; NSC759631; s1653; SBB065722; ZINC12358651; AKOS000280845; Tox21_110812_1; AB03039; AC-6824; CS-1269; DB00755; GS-3578; LP01061; LS-1154; NC00481; NSC-759631; IDI1_000903; IDI1_033970; NCGC00017280-05; NCGC00017280-06; NCGC00017280-07; NCGC00017280-08; NCGC00017280-09; NCGC00017280-12; NCGC00017280-15; NCGC00017280-16; NCGC00017280-17; NCGC00017280-18; NCGC00017280-19; NCGC00017280-20; NCGC00017280-23; NCGC00021808-04; NCGC00021808-05; NCGC00021808-06; NCGC00021808-07; NCGC00021808-09; NCGC00021808-11; NCGC00021808-14; NCGC00021808-15; NCGC00254179-01; NCGC00259879-01; NCGC00261746-01; trans-Retinoic acid|||Retinoid analogues; BP-20401; BR-73126; HY-14649; Retinoic acid, >=98% (HPLC), powder; SAM002264647; SC-16932; ST057075; SBI-0051031.P003; AB1009361; ST2407905; EU-0101061; R0064; SW203749-4; 02T794; 5914-EP2275412A1; 5914-EP2292576A2; A10944; C00777; D00094; J10054; Q29417; S-1635; 33998-EP2275420A1; 33998-EP2295055A2; 33998-EP2295416A2; 33998-EP2295426A1; 33998-EP2295427A1; 33998-EP2298748A2; 33998-EP2298764A1; 33998-EP2298765A1; 33998-EP2298768A1; 33998-EP2301928A1; 33998-EP2305642A2; 33998-EP2308833A2; 33998-EP2308861A1; 33998-EP2311453A1; 33998-EP2311808A1; 33998-EP2311829A1; 33998-EP2311840A1; AB00052318-15; AB00052318-16; AB00052318-17; AB00052318_18; AB00052318_19; L000833; Q-200610; SR-01000000239-3; SR-01000000239-4; SR-01000000239-6; SR-01000000239-7; BRD-K06926592-001-01-7; BRD-K71879491-001-15-0; BRD-K71879491-001-22-6; SR-01000000239-12; SR-01000000239-13; SR-01000000239-14; SR-01000000239-15; WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1; ATRA; Tretinoin; Vitamin A acid; all-trans-Retinoic acid; Tretinoin, European Pharmacopoeia (EP) Reference Standard; WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U1VQ C1 C1; Tretinoin, United States Pharmacopeia (USP) Reference Standard; 3,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; Tretinoin, Pharmaceutical Secondary Standard; Certified Reference Material; (2E,4E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoic acid; (4E,6E,8E)-9-(2,6,6-Trimethyl-1-cyclohexenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid; (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate; 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; 2,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2E,4E,6E,8E,-nonatetraenoic acid; all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic Acid; (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid; 2,4, 6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6, 6-trimethyl-1-cyclohexen-1-yl)-, (2E, 4E, 6E, 8E)-; 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)--, (all trans)-; 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all trans)-; 2,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid-, (all trans)-; 97950-17-9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H28O2",
"molecular_weight": "300.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "444795",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX14",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02010203",
"F020103"
],
"references": [
"RC01023",
"RC01301",
"RC01315"
]
},
{
"compound_ID": "D0483",
"name": "rifabutin",
"synonyms": "RIFABUTIN; Ansamycin; Mycobutin; Rifabutine; Ansatipine; Ansatipin; Alfacid; 72559-06-9; LM-427; Rifabutine [French]; Rifabutinum [Latin]; Rifabutina [Spanish]; Antibiotic LM 427; 4-N-isobutylspiropiperidylrifamycin S; Mycobutin (TN); LM 427; HSDB 3577; ATEBXHFBFRCZMA-VXTBVIBXSA-N; DRG-0085; 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV; 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S; BRN 3584778; NCGC00090762-01; DSSTox_CID_10773; DSSTox_RID_79103; DSSTox_GSID_33960; RBT; Rifamycin XIV, 1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxo-; Rifamycin XIV, 1,4-dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxo-; (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20-Tetrahydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-heptamethylspiro(9,4-(epoxypentadeca(1,11,13)trienimino)-2H-furo(2',3':7,8)naphth(1,2-d)imidazole-2,4'-piperidine)-5,10,26(3H,9H)-trione,16-acetate; CAS-72559-06-9; Rifabutina; Rifabutinum; Ansamicin; Assatipin; LM427; C46H62N4O11; (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-heptamethyl-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin; Prestwick2_001109; Rifabutin (JAN/USP/INN); SCHEMBL36043; MLS001061256; Rifabutin [USAN:BAN:INN]; HMS1571M20; HMS3259D12; HMS3715M20; Tox21_111012; Tox21_200758; Rifabutin [USAN:USP:INN:BAN:JAN]; ZINC169621215; CCG-221109; DB00615; Mycobutin;Ansamycin;LM 427;Ansatipine; NCGC00090762-02; NCGC00258312-01; AC-19109; SC-18287; SMR001227203; AB2000265; LS-143839; C07235; D00424; AB01209745-01; AB01274733-01; AB01274733_02; 559R069; Q1135705; (trihydroxy-1'-isobutyl-methoxy-heptamethyl-trioxo-spiro[[?]-4,4'-piperidine]yl) acetate; (7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate; Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3H,9H)-trione, 16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-, (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C46H62N4O11",
"molecular_weight": "847",
"state": "solid",
"clearance": "* 0.69 +/- 0.32 L/hr/kg",
"volume_of_distribution": "",
"route_of_elimination": "A mass-balance study in three healthy adult volunteers with 14C-labeled rifabutin showed that 53% of the oral dose was excreted in the urine, primarily as metabolites. About 30% of the dose is excreted in the feces.",
"protein_binding": "0.85",
"half_life": "45 (± 17) hours",
"absorption": "Rifabutin is readily absorbed from the gastrointestinal tract, with an absolute bioavailability averaging 20%.",
"cid": "135398743",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J04AB04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01024"
]
},
{
"compound_ID": "D0484",
"name": "ritolukast",
"synonyms": "RITOLUKAST; Wy-48252; UNII-0E8R4GDE2Q; 0E8R4GDE2Q; CHEMBL17344; 111974-60-8; Ritolukastum; Ritolukast [USAN:INN]; Wy 48252; Ritolukastum [INN-Latin]; Ritolukast (USAN/INN); SCHEMBL38043; 1,1,1-Trifluoro-alpha-2-quinolylmethanesulfon-m-anisidide; DTXSID90149795; GOHUJGMYCZDYDF-UHFFFAOYSA-N; 1,1,1-trifluoro-N-[3-(quinolin-2-ylmethoxy)phenyl]methanesulfonamide; BDBM50006806; AKOS000278710; D02849; Q27236668; N-[3-[(2-Quinolinyl)methoxy]phenyl]trifluoromethane sulfonamide; C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide; Methanesulfonamide, 1,1,1-trifluoro-N-(3-(2-quinolinylmethoxy)phenyl)-; C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide( Wy-48,252); C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide(Wy 48252); C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide(Wy-48,252);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H13F3N2O3S",
"molecular_weight": "382.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "60539",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01025"
]
},
{
"compound_ID": "D0485",
"name": "aripiprazole",
"synonyms": "Aripiprazole; 129722-12-9; Abilify; Abilitat; Abilify Discmelt; OPC-14597; Discmelt; Opc 14597; OPC 31; OPC-31; 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril; UNII-82VFR53I78; C23H27Cl2N3O2; 7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROQUINOLIN-2(1H)-ONE; HSDB 7320; CHEMBL1112; 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone; 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone; 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one; 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one; CHEBI:31236; CEUORZQYGODEFX-UHFFFAOYSA-N; 82VFR53I78; 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril; 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-; 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone; 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one; aripiprazol; NCGC00159510-02; CPD000466383; DSSTox_CID_26083; DSSTox_RID_81324; DSSTox_GSID_46083; Aripiprazole [USAN]; aripiprazolum; Aripirazole; Abilify Maintena; 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-; 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one; 24-29-3; SMR000466383; Abilify (TN); Abilify Maintena Kit; CAS-129722-12-9; SR-01000759353; Aripiprex; Abilify Digital; Abilify MyCite; Aripiprazole (JAN/USAN/INN); Aripiprazole [USAN:INN:BAN]; Aripiprazole D8; 7-(4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy)-3,4-dihydrocarbostyril; 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril; Abilify OD; 7-(4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy)-3,4-dihydroquinolin-2(1H)-one; Aripiprazole Depot; aripiprazole-abilify; ACMC-20emtv; BMS-337039; KS-1030; Aripiprazole (Abilify); PubChem18143; GTPL34; SCHEMBL8255; MLS000759517; MLS001165779; MLS001195621; MLS001424078; MLS006011892; SCHEMBL5335696; Aristada (aripiprazole lauroxil); DTXSID3046083; SCHEMBL12961254; CTK0H5518; AOB5922; HMS2051I18; HMS2089M20; HMS2093F22; HMS2230M18; HMS3373D04; HMS3393I18; HMS3657K13; HMS3715J07; HMS3744A13; Pharmakon1600-01505851; ACT03221; BCP04902; EBD20357; KS-00000XK7; ZINC1851149; Tox21_111728; BBL029082; BDBM50130293; CA0141; DL-178; MFCD00892072; NSC759266; s1975; STK625160; AKOS005558247; Tox21_111728_1; AB07660; AC-1554; BCP9000317; CCG-100891; CS-0766; DB01238; MCULE-4329329262; NC00141; NSC-759266; RTR-004086; Aripiprazole 1.0 mg/ml in Acetonitrile; NCGC00159510-03; NCGC00159510-04; NCGC00159510-05; AK-46736; BR-46736; HY-14546; SAM001246750; SC-16317; SY053146; SBI-0206870.P001; AB0008434; AB1006698; LS-142666; ST2412627; AM20090766; FT-0082572; FT-0600352; SW197521-3; 4811-EP2269990A1; 4811-EP2272841A1; 4811-EP2298731A1; 4811-EP2298776A1; 4811-EP2301936A1; A11801; A19454; C12564; D01164; J10066; S-4507; AB00639935-09; AB00639935_10; AB00639935_11; 722A129; L001339; Q411188; J-005707; SR-01000759353-4; SR-01000759353-6; BRD-K70358946-001-06-6; Z1541632800; 7-[4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone; 7-[4-[4-(2,3-Dichlorophenyl)-1-Piperazinyl]Butoxy]3,4-Dihydro-2(1H)-Quinolinone; 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-quinolin-2(1H)-one; 7-{4-[-4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril; 7-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-quinolin-2-one; 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3, 4-dihydrocarbostyril; 7-{4-[4-(2,3-dichlorophenyl)piperazino]butoxy}-3,4-dihydro-2(1H)-quinolinone; aripiprazole; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril; 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril; 7-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one; 9SC; Aripiprazole solution, 1.0 mg/mL (50:50 Methanol/Water with 1% 1N HCl), ampule of 1 mL, certified reference material; Aripiprazole solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H27Cl2N3O2",
"molecular_weight": "448.4",
"state": "solid",
"clearance": "0.8mL/min/kg[A31184]. Other studies have reported a clearance rate of 3297±1042mL/hr[A177904].",
"volume_of_distribution": "404L or 4.9L/kg[Label,A31184].",
"route_of_elimination": "25% of a given dose will be eliminated in urine and 55% in the feces[Label,A177910]. <1% of a dose is eliminated in the urine as unmetabolized aripiprazole and approximately 18% of a dose will be eliminated in the feces unmetabolized[Label,A177910].",
"protein_binding": ">99%[Label].",
"half_life": "The half life of aripiprazole is 75 hours while the half life of the active metabolite is 94 hours[Label]. For populations that are poor CYP2D6 metabolizers, the half life of aripiprazole is 146 hours and these patients should be treated with half the normal dose[Label]. Other studies have reported a half life of 61.03±19.59 hours for aripiprazole and 279±299 hours for the active metabolite[A177904].",
"absorption": "Aripiprazole tablets are 87% bioavailable and reach peak plasma concentrations in 3 to 5 hours[Label]. These tablets can be taken with or without food, but a high fat meal can delay the time to max concentration by 3 hours and up to 12 hours for the active metabolite[Label].",
"cid": "60795",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N05AX12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020103"
],
"references": [
"RC01027"
]
},
{
"compound_ID": "D0486",
"name": "axitinib",
"synonyms": "Axitinib; 319460-85-0; AG-013736; Inlyta; AG 013736; UNII-C9LVQ0YUXG; AG013736; C9LVQ0YUXG; N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide; (E)-N-Methyl-2-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide; AG-13736; CHEBI:66910; NSC757441; N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide; NCGC00241108-01; S1005; (E)-N-methyl-2-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-ylthio)benzamide; DSSTox_CID_28975; DSSTox_RID_83240; DSSTox_GSID_49049; Axitinib (AG 013736); C22H18N4OS; N-methyl-2-({3-[(E)-2-(pyridin-2-yl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide; CAS-319460-85-0; N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide; axitinibum; Axitinib [USAN:INN:JAN]; 4agc; Inlyta (TN); AG13736; 4ag8; Axitinib (JAN/USAN); Axitinib/AG013736; AG-013736;Axitinib; Axitinib,AG-013736; cc-356; MLS006010164; SCHEMBL172918; GTPL5659; Axitinib, >=98% (HPLC); CHEMBL1289926; DTXSID3049049; BDBM25117; CHEBI:94568; EX-A337; QCR-109; SYN1014; BCPP000372; AOB87786; BCP01371; ZINC3816287; Tox21_113597; ABP000115; MFCD09837898; AKOS015902898; Tox21_113597_1; AC-1539; BCP9000345; CS-0116; DB06626; KS-1448; NSC-757441; SB20061; NCGC00241108-04; NCGC00241108-06; 4CA-0215; HY-10065; SC-22491; SMR002530046; AB0008632; TR-013491; AM20090673; SW219464-1; A10103; D03218; Q-3279; AB01274739-01; AB01274739_02; 460A850; SR-01000941566; J-502064; Q-200662; Q4830631; SR-01000941566-1; BRD-K29905972-001-01-4; BRD-K29905972-001-02-2; Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-; Benzamide, N-methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-; N-Methyl-[[3[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-benzamide; N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide; N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H18N4OS",
"molecular_weight": "386.5",
"state": "solid",
"clearance": "The average clearance of axitinib is 38 L/h.",
"volume_of_distribution": "The volume of distribution is 160 L.",
"route_of_elimination": "Axitinib is mainly eliminated unchanged in the feces (41%) with 12% of the original dose as unchanged axitinib. There is also 23% eliminated in the urine, most of which are metabolites.\n\n",
"protein_binding": "Plasma protein binding for axitinib is high at over 99% with most protein binding to albumin followed by alpha1-acid glycoprotein.",
"half_life": "Axitinib has a half life of 2.5 to 6.1 hours.",
"absorption": "After one 5 mg dose of axitinib, it takes about 2.5 to 4.1 hours to reach maximum plasma concentration.\n\n",
"cid": "6450551",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE17",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01028",
"RC01788",
"RC02409",
"RC03030"
]
},
{
"compound_ID": "D0487",
"name": "clofilium",
"synonyms": "Clofilium; 68379-02-2; 4-(4-chlorophenyl)butyl-diethyl-heptylazanium; UNII-847G178BMC; 4-Chloro-N,N-diethyl-N-heptylbenzenebutanaminium; CHEMBL9484; Benzenebutanaminium, 4-chloro-N,N-diethyl-N-heptyl-; CHEBI:34649; 847G178BMC; MLS002154263; GNF-Pf-3889; AC1L1EHQ; SMR001233522; Prestwick1_000319; Prestwick2_000319; Prestwick3_000319; BSPBio_000318; SCHEMBL157537; SPBio_002537; BPBio1_000350; cid_175533; GTPL2507; DTXSID9048568; BDBM89440; CTK2F6670; ZINC8035458; NCGC00168464-01; NCGC00168464-02; LS-186732; LS-187422; 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium; C13772; 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium; Q5134881; 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium;tosylate; 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium;4-methylbenzenesulfonate; 4-(4-chlorophenyl)butyl-diethyl-heptylammonium;4-methylbenzenesulfonate; 4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H37ClN+",
"molecular_weight": "339",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2798",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F020103"
],
"references": [
"RC01029"
]
},
{
"compound_ID": "D0488",
"name": "crizotinib",
"synonyms": "Crizotinib; 877399-52-5; Xalkori; PF-02341066; (R)-crizotinib; PF-2341066; PF 2341066; Crizotinib (PF-02341066); PF 02341066; 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine; UNII-53AH36668S; (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine; PF2341066; CHEMBL601719; Crizotinib (PF-2341066); CHEBI:64310; 53AH36668S; 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine; 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1-Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine; 3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-AMINE; (R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; Xalkori (TN); C21H22Cl2FN5O; Crizotinib [USAN:INN]; crizotinibum; VGH; PubChem19322; PF02341066; SCHEMBL93829; PF-2341066,Crizotinib; Crizotinib (JAN/USAN/INN); PF-2341066(Crizotinib); GTPL4903; QCR-32; Crizotinib, >=98% (HPLC); PF-2341066 (Crizotinib); PF-2341066 - Crizotinib; CTK5F8952; AOB2688; EX-A096; SYN1139; KTEIFNKAUNYNJU-GFCCVEGCSA-N; PF-02341066 (Crizotinib); BCPP000116; DTXSID701009329; 3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; AMX10152; PF 2341066;(R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; ABP000131; ANW-47749; BDBM50306682; NSC749005; ZINC35902489; AKOS015901233; AKOS015995207; DB08865; GS-6178; KIN0000318; NSC-749005; PB11015; KS-0000075X; NCGC00250400-01; NCGC00250400-09; NCGC00250400-12; 2-Pyridinamine, 3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-; EN002685; HY-50878; SC-48062; AB0027203; TX-017903; BB 0261738; FT-0665224; SW202555-3; W9013; D09731; Q-3209; 399P525; J-510370; Q5186964; BRD-K78431006-001-01-1; BRD-K78431006-001-03-7; 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[; 877399-52-5, 877399-53-6 (acetate); 3-(2,6-dichloro-3-fluorobenzyloxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine; (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-am ine; 3-(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy-5-1-(4-piperidinyl)-1H-pyrazol-4-yl-2-Pyridinamine; 3-[(R)-1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H22Cl2FN5O",
"molecular_weight": "450.3",
"state": "solid",
"clearance": "The mean apparent clearance (CL/F) of crizotinib was lower at steady state (60 L/hr) after 250 mg twice daily than that after a single 250 mg oral dose (100 L/hr), which was likely due to autoinhibition of CYP3A by crizotinib after multiple dosing.",
"volume_of_distribution": "Mean volume of distribution (Vss) is 1772 L following intravenous administration of a 50 mg dose. This high volume of distribution suggest extensive distribution into tissue from plasma.",
"route_of_elimination": "Following the administration of a single 250 mg radiolabeled crizotinib dose to healthy subjects, 63% and 22% of the administered dose was recovered in feces and urine, respectively. Unchanged crizotinib represented approximately 53% and 2.3% of the administered dose in feces and urine, respectively.",
"protein_binding": "Crizotinib is 91% bound to plasma protein. This is not affected by drug concentration.",
"half_life": "Plasma terminal half-life, patients = 42 hours",
"absorption": "The peak serum concentration was reached in 4 to 6 hours following an oral single-dose administration. Steady state was reached within 15 days when a dose of 250 mg twice daily was administered. The mean absolute bioavailability was 43% (range of 32% to 66%) following a single 250 mg oral dose. When taken with high-fat meal, AUC and Cmax were reduced.",
"cid": "11626560",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE16",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01030"
]
},
{
"compound_ID": "D0489",
"name": "tenidap",
"synonyms": "TENIDAP; 120210-48-2; Tenidapum [INN-Latin]; UNII-9K7CJ74ONH; Tenidap sodium salt; 9K7CJ74ONH; (Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide; CP 66,248; CHEMBL1097558; CHEBI:35847; NCGC00160352-01; CP-66,248; C14H9ClN2O3S; DSSTox_CID_26104; DSSTox_RID_81342; DSSTox_GSID_46104; CP-66,248-2; Tenidapum; 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxamide; (3Z)-5-chloro-3-[hydroxy(2-thienyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-1-carboxamide; (z)-5-chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1h-indole-1-carboxamide; 1H-Indole-1-carboxamide, 5-chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-, (Z)-; CAS-120210-48-2; Tenidap [USAN:BAN:INN]; Tenidap [USAN:INN:BAN]; (3Z)-5-chloro-3-[hydroxy(2-thienyl)methylene]-2-oxo-indoline-1-carboxamide; [Z]-5-Chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide; (E)-Tenidap; IL-6+Tenidap; Tenidap (USAN/INN); CP 66248-2; SCHEMBL24922; GTPL2395; SCHEMBL1651222; SCHEMBL3751878; CHEMBL1908355; DTXSID9046104; CTK8E8302; LXIKEPCNDFVJKC-UHFFFAOYSA-N; HMS3269D11; HMS3413H21; HMS3677H21; Tox21_111757; BDBM50331888; (E)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide; AKOS000280742; AKOS030254774; Tox21_111757_1; ZINC100001953; ZINC104069448; API0013661; DB13481; 5-chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide; NCGC00167784-01; NCGC00263542-01; DB-041542; HY-105028; LS-172439; RT-015905; B7115; CS-0024729; FT-0631099; EC-000.2272; D06072; SR-01000883975; J-004277; Q7699849; SR-01000883975-1; 2-Hydroxy-3-(2-thienylcarbonyl)-5-chloro-1H-indole-1-carboxamide; 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)-1H-indole-1-carboxamide; (3Z)-5-chloro-3-[hydroxy(thiophen-2-yl)methylidene]-2-oxoindole-1-carboxamide; (Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide; 5-Chloro-2,3-dihydro-3-[hydroxy(2-thienyl)methylene]-2-oxo-1H-indole-1-carboxamide; 5-chloro-2,3-dihydro-3-[hydroxy-(2-thienyl)methylene]-2-oxo-1H-indole-1-carboxamide; 5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide; (3Z)-5-CHLORO-3-[HYDROXY(2-THIENYL)METHYLENE]-2-OXO-2,3-DIHYDRO-1H-INDOLE-1-CARBOXAMIDE; 5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide(tenidap); Interleukin-6 & [Z]-5-Chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H9ClN2O3S",
"molecular_weight": "320.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "60712",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M01AX23",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F0108",
"F020103"
],
"references": [
"RC01031",
"RC01032",
"RC02136",
"RC02757",
"RC03378"
]
},
{
"compound_ID": "D0490",
"name": "benztropine mesylate",
"synonyms": "BENZTROPINE MESYLATE; Cogentin mesylate; 132-17-2; Benztropine (mesylate); MLS000737056; NSC42199; Benzotropine mesylate; SMR000394012; Cobrentin methanesulfonate; EN300-51031; 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane, methanesulfonic acid; Benzatropine methanesulfonate; Q-200693; 3-Diphenylmethoxytropane mesylate; MK 02; 3-(Benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane methanesulfonate; 3-Diphenylmethoxytropane methanesulfonate; Tropine benzohydryl ether methanesulfonate; 102701-02-0; Cogentin methanesulfonate; SR-01000075303; Benzotropine methanesulfonate; C21H25NO.CH4O3S; NSC-42199; benztropinemesylate; NSC-169913; Benzotropinemesylate; Opera_ID_1229; SCHEMBL41809; CHEMBL85236; CTK4B7776; HY-B0520A; HMS2747A15; HMS3259P11; HMS3260H09; HMS3652K07; KS-00000XL0; Tox21_500194; NSC169913; AKOS008105137; CCG-221498; CS-2733; LP00194; MCULE-4736181346; NC00646; NCGC00016118-02; NCGC00093670-01; NCGC00260879-01; AK122005; AS-17846; CPD000394012; SAM002548938; SC-20236; AB0021001; AX8001513; EU-0100194; ST50997629; V2115; B 8262; WLN: T56 A ANTJ A1 GOYR & R & OSW1; Benzophenone-3,3'-4,4'-tetracarboxylic dianhydrie; SR-01000075303-1; SR-01000075303-5; 8-Azabicyclo[3.2.1]octane, endo-, methanesulfonate; 1.alpha.H, 3.alpha.-(diphenylmethoxy)-, methanesulfonate; benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether methanesulfonate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H29NO4S",
"molecular_weight": "403.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "238053",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01033"
]
},
{
"compound_ID": "D0491",
"name": "clemastine",
"synonyms": "clemastine; Meclastin; Mecloprodin; 15686-51-8; Clemastina; Clemastinum [INN-Latin]; Clemastina [INN-Spanish]; HS-592; Clemastinum; Meclastine; HS 592; C21H26ClNO; UNII-95QN29S1ID; (+)-(2R)-2-(2-(((R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine; CHEMBL1626; 95QN29S1ID; CHEBI:3738; 2-(2-(4-Chlor-alpha-methylbenzhydryloxy)ethyl)-1-methylpyrrolidin; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine; (+)-(2R)-2-[2-[[(R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine; MLS002154260; Clemastine [USAN:BAN]; Tavist (*Fumarate*); Pyrrolidine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methyl-, (R-(R*,R*))-; NCGC00016710-01; SMR001233520; CAS-14976-57-9; Clemastine [USAN:INN:BAN]; (R)-2-(2-((R)-1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine; (R)-2-[2-[(R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine; Tocris-1453; Prestwick0_000306; Prestwick1_000306; Prestwick2_000306; Prestwick3_000306; Spectrum2_000689; Spectrum3_000353; Spectrum4_000955; Spectrum5_001520; Lopac-C-8903; SCHEMBL4178; BSPBio_000272; BSPBio_002045; KBioGR_001570; BIDD:GT0391; DivK1c_000285; SPBio_000817; SPBio_002491; BPBio1_000300; GTPL6063; DTXSID2022832; BDBM94606; KBio1_000285; KBio3_001265; cid_45479735; NINDS_000285; YNNUSGIPVFPVBX-NHCUHLMSSA-N; HMS2089I22; KUC112480N; ZINC402830; 2-(2-(1-(4-Chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine; BDBM50253157; DL-247; 2(R)-[2-[(1R)-(4-Chlorophenyl)-1-phenyl-ethoxy]ethyl-1-methylpyrrolidine; API0009140; DB00283; (2R)-2-(2-{[(1R)-1-(4-chlorophenyl)-1-phenylethyl]oxy}ethyl)-1-methylpyrrolidine; IDI1_000285; NCGC00015281-01; NCGC00016710-02; NCGC00025168-01; CC-25901; KSC-315-033-; M192; SBI-0052796.P003; LS-137531; FT-0772929; AB00053766-06; AB00053766-07; AB00053766_08; AB00053766_09; 686C518; C-23710; Q418145; BRD-K30240666-051-05-0; BRD-K30240666-051-08-4; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine;fumarate; (E)-2-butenedioate;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine; (E)-but-2-enedioate;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine; (E)-but-2-enedioate;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H26ClNO",
"molecular_weight": "343.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Urinary excretion is the major mode of elimination.",
"protein_binding": "",
"half_life": "",
"absorption": "Rapidly absorbed from the gastrointestinal tract.",
"cid": "26987",
"classification": "D; R",
"indications": "",
"side_effects": "",
"atc_codes": "R06AA04; R06AA54; D04AA14",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01034"
]
},
{
"compound_ID": "D0492",
"name": "darifenacin",
"synonyms": "Darifenacin; Enablex; Emselex; 133099-04-4; UNII-APG9819VLM; UK-88525; APG9819VLM; CHEMBL1346; (S)-1-(2-(2,3-Dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamide; CHEBI:391960; 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide; [3H]darifenacin; 2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide; NCGC00168775-01; Darifenacin (USAN/INN); Darifenacin [USAN:INN:BAN]; 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide; SCHEMBL56574; GTPL319; GTPL321; MLS003876823; DTXSID2048290; 2-((3S)-1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide; HXGBXQDTNZMWGS-RUZDIDTESA-N; 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, (3S)-; HY-A0033; ZINC1996117; AC-302; BDBM50109647; AKOS015907962; API0002219; CS-1168; DB00496; MCULE-4616748439; SB17425; 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine; SMR002533186; LS-187359; FT-0652801; ST24039043; D03654; W-5196; AB01566824_01; 099D044; Q166476; (s)-1-[2-(2,3-dihydro-5-benzofuranyl) ethyl]-alpha,alpha-diphenyl-3-pyrrolidine acetamide; (S)-2-(1-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide; (S)-2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide; (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide; 2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide (Darifenacin); 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-y l)ethyl]pyrrolidine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H30N2O2",
"molecular_weight": "426.5",
"state": "solid",
"clearance": "* 40 L/h [extensive metabolizers]\n* 32 L/h [poor metabolizers]",
"volume_of_distribution": "* 163 L",
"route_of_elimination": "",
"protein_binding": "Darifenacin is approximately 98% bound to plasma proteins (primarily to alpha-1-acid-glycoprotein).",
"half_life": "The elimination half-life of darifenacin following chronic dosing is approximately 13-19 hours.",
"absorption": "The mean oral bioavailability at steady state is estimated to be 15% and 19% for 7.5 mg and 15 mg tablets, respectively.",
"cid": "444031",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G04BD10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01035",
"RC01036"
]
},
{
"compound_ID": "D0493",
"name": "pimozide",
"synonyms": "pimozide; 2062-78-4; Orap; Opiran; Pimozidum; Pimozidum [INN-Latin]; McN-JR-6238; R-6238; Primozida [INN-Spanish]; R 6238; UNII-1HIZ4DL86F; NSC 170984; McN-JR 6238; CCRIS 9172; C28H29F2N3O; R6238; EINECS 218-171-7; 1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone; 1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone; BRN 0729089; 1HIZ4DL86F; CHEMBL1423; 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine; 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one; 1-[1-[4,4-bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; MLS000028410; MLS002702058; CHEBI:8212; NSC170984; 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 2H-Benzimidazol-2-one, 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-; 2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-; NSC-170984; NCGC00015802-08; NCGC00015802-18; Primozida; SMR000058385; CAS-2062-78-4; DSSTox_CID_3474; DSSTox_RID_77042; DSSTox_GSID_23474; pimozida; Primozide; Pimozida [INN-Spanish]; 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine; 2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-; Orap (TN); Pimozide [USAN:INN:BAN:JAN]; SR-01000075392; 2-Benzimidazolinone, 1-(1-(4,4-bis(p-fluorophenyl)butyl)-4-piperidyl)-; Prestwick_395; Pimozide [USAN:USP:INN:BAN:JAN]; Spectrum_000445; Tocris-0937; Opera_ID_1580; Prestwick0_000308; Prestwick1_000308; Prestwick2_000308; Prestwick3_000308; Spectrum2_001026; Spectrum3_001451; Spectrum4_000420; Spectrum5_001308; Lopac-P-1793; GTPL90; NCIMech_000356; P 1793; Lopac0_000946; SCHEMBL41584; BSPBio_000276; BSPBio_001439; BSPBio_002941; KBioGR_000720; KBioSS_000925; 5-24-02-00367 (Beilstein Handbook Reference); MLS001077311; BIDD:GT0435; DivK1c_000386; SPECTRUM1501134; Pimozide (JP17/USP/INN); SPBio_001211; SPBio_002495; BPBio1_000304; SCHEMBL7519553; DTXSID8023474; BCBcMAP01_000043; CTK8G2428; HMS501D08; KBio1_000386; KBio2_000925; KBio2_003493; KBio2_006061; KBio3_002441; AOB5780; NINDS_000386; YVUQSNJEYSNKRX-UHFFFAOYSA-N; HMS1568N18; HMS1791H21; HMS1921H19; HMS1989H21; HMS2089C11; HMS2092F09; HMS2095N18; HMS2231P23; HMS3262N14; HMS3267E19; HMS3370N13; HMS3402H21; HMS3411J16; HMS3675J16; HMS3712N18; Pharmakon1600-01501134; KS-000018AL; ZINC4175630; Tox21_110224; Tox21_301586; Tox21_500946; BDBM50334150; BG0381; CCG-35918; CCG-36461; CCG-39728; MFCD00055081; NSC757854; 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-1H-benzimidazol-2-one; AKOS024458706; Tox21_110224_1; API0003851; DB01100; LP00946; NSC-757854; IDI1_000386; SMP1_000241; NCGC00015802-01; NCGC00015802-02; NCGC00015802-03; NCGC00015802-04; NCGC00015802-05; NCGC00015802-06; NCGC00015802-07; NCGC00015802-09; NCGC00015802-10; NCGC00015802-11; NCGC00015802-12; NCGC00015802-13; NCGC00015802-14; NCGC00015802-15; NCGC00015802-16; NCGC00015802-26; NCGC00016601-01; NCGC00022282-03; NCGC00024888-01; NCGC00024888-02; NCGC00024888-03; NCGC00024888-04; NCGC00024888-05; NCGC00024888-06; NCGC00024888-07; NCGC00255294-01; NCGC00261631-01; AS-13916; HY-12987; LS-33236; M828; SBI-0050920.P003; AB00052215; CS-0012921; EU-0100946; FT-0673903; R-623; SW196639-3; C07566; D00560; AB00052215-06; AB00052215_07; AB00052215_08; 062P784; 117210-EP2272537A2; 117210-EP2275420A1; 117210-EP2295061A1; 117210-EP2298776A1; L000494; Q144085; WLN: T56 BMVNJ D- DT6NTJ A3YR DF&R DF; J-013477; SR-01000075392-1; SR-01000075392-3; SR-01000075392-4; SR-01000075392-6; BRD-K01292756-001-06-0; BRD-K01292756-001-13-6; Pimozide, European Pharmacopoeia (EP) Reference Standard; Z241910386; 2-Benzimidazolinone,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-; N-benzyl-N-(3-isobutoxy-2-(pyrrolidin-1-yl)propyl)benzenamine; Pimozide, United States Pharmacopeia (USP) Reference Standard; 1-[1-[4,4-Bis(p-flurophenyl)butyl]-4-piperidyl]-2-benzimidazolinone; 1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one; 1-{1-[4,4-bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one; 2H-Benzimidazol-2-one,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-; 1-{1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Pimozide); PIMOZIDE1-{1-[4,4-BIS-(4-FLUORO-PHENYL)-BUTYL]-PIPERIDIN-4-YL}-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE;",
"trade_name": "Orap",
"abbrev_name": "",
"description": "antipsychotic drug of the diphenylbutylpiperidine class",
"molecular_formula": "C28H29F2N3O",
"molecular_weight": "461.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "29 ± 10 hours (single-dose study of healthy volunteers).",
"absorption": "Greater than 50% absorption after oral administration. Serum peak appears 6-8 hours post ingestion.",
"cid": "16362",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N05AG02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020103",
"F030501"
],
"references": [
"RC01037",
"RC03740"
]
},
{
"compound_ID": "D0494",
"name": "protriptyline",
"synonyms": "protriptyline; Amimetilina; Protryptyline; Triptil; 438-60-8; Vivactil; Protriptyline [INN:BAN]; Protriptylinum [INN-Latin]; 7-(3-Methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene; Protriptilina [INN-Spanish]; N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propanamine; 5-(3-Methylaminopropyl)-5H-Dibenzo[a,d]cycloheptene; Maximed; Triptyl; Vivactyl; UNII-4NDU154T12; 3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine; N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propylamine; HSDB 3391; N-3-(5H-Dibenzo(a,d)cyclohepten-5-yl)propyl-N-methylamine; EINECS 207-119-9; Triptil hydrochloride; CHEMBL668; Normethyl EX4442; BRN 2217411; N-Methyl-5H-dibenzo(a,d)cycloheptene-5-propylamine; 5-(3-Methylaminopropyl)-5H-dibenzo(a,d)cycloheptene; 5H-Dibenzo(a,d)cycloheptene-5-propanamine, N-methyl-; 5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-; CHEBI:8597; 3-(5H-Dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine; BWPIARFWQZKAIA-UHFFFAOYSA-N; 4NDU154T12; Concordin; 5H-Dibenzo(a,d)cycloheptene-5-propylamine, N-methyl-; Protriptilina; Protriptylinum; Protriptyline (INN); MK-240; NSC169912; NCGC00015851-02; CAS-1225-55-4; 5H-Dibenzo[a,d]cycloheptene-5-propylamine, N-methyl-; Vivactil (Salt/Mix); Concordin (Salt/Mix); Prestwick0_000930; Prestwick1_000930; Prestwick2_000930; Prestwick3_000930; Lopac-P-8813; BIDD:PXR0157; Lopac0_000974; SCHEMBL34267; BSPBio_000840; SPBio_003019; BPBio1_000924; GTPL7285; DTXSID0023535; PROTRYPTYLINE HYDROCHLORIDE; ZINC1530764; 5H-Dibenzo[a, d]cycloheptene-5-propanamine, N-methyl-, hydrochloride; ACM438608; BDBM50176062; MK 240; PDSP1_001390; PDSP2_001374; AKOS015962184; CCG-205054; DB00344; MCULE-6023848462; NCGC00015851-01; NCGC00015851-03; NCGC00015851-04; NCGC00015851-05; NCGC00015851-06; NCGC00015851-07; NCGC00024439-03; AC-15971; LS-60771; SBI-0050947.P002; AB00489964; C07408; D08447; AB00489964_10; L000913; Q408432; BRD-K42098891-003-03-1; 3-(5H-Dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine #; 3-(11H-dibenzo[[?],[?]][7]annulen-11-yl)-N-methyl-propan-1-amine; 3-(11H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)-N-methylpropan-1-amine; methyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)amine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H21N",
"molecular_weight": "263.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Protriptyline is reported to undergo cumulative urinary excretion during 16 days, which accounts for approximately 50% of the total drug administered. The fecal excretion pathway seems to play a minimal role in drug elimination.",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "4976",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AA11",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01038"
]
},
{
"compound_ID": "D0495",
"name": "tolterodine",
"synonyms": "tolterodine; 124937-51-5; (+)-Tolterodine; Tolterodinum; Detrusitol; Tolterodina; (R)-(+)-Tolterodine; Tolterodine tartrate; Urotrol; Detrol; S-(-)-Tolterodine; UNII-WHE7A56U7K; Kabi-2234; CHEMBL1382; WHE7A56U7K; CHEBI:9622; 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol; Tolterodinum [INN-Latin]; Kabi 2234; (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol; Tolterodina [INN-Spanish]; NCGC00159519-02; Unidet; DSSTox_CID_3687; PNU 200583; DSSTox_RID_77147; DSSTox_GSID_23687; Tolterodine L-Tartrate; Q-200223; (r)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-methylphenol; 2-[3-[Bis(1-Methylethyl)Amino]-1-Phenylpropyl]-4-Methyl Phenol Monohydrobromide; SMR000596518; PNU-200583E; CAS-124937-51-5; PHA-686464B; tolterodin; (R)-2-[3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol; s-tolterodine; Tolterodine [USAN:INN:BAN]; (R)-2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOL; Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-; Phenol, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-; 124937-53-7; Tolterondine Tartrate; PubChem20792; 124937-52-6; Tolterodine (USAN/INN); SCHEMBL3064; GTPL360; MLS001195620; MLS001304745; BIDD:GT0318; DTXSID3023687; OOGJQPCLVADCPB-HXUWFJFHSA-N; HMS2230E24; ZINC968336; ACT04387; HY-A0024; tolterodine extended release capsules; Tox21_111737; 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol; BDBM50165008; MFCD07771985; AKOS015841711; AKOS015895578; Tox21_111737_1; AC-3472; API0004447; CS-1799; DB01036; KS-5165; NCGC00263557-01; SC-18999; LS-187278; RT-015598; FT-0082150; FT-0082998; FT-0602571; FT-0675276; C07750; D00646; 27817-EP2269989A1; 27817-EP2298767A1; 27817-EP2314587A1; AB00698547-12; AB00698547_13; 937T515; Q424312; J-005184; 2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol; 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; (+)-(R)-3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropylamine; 2-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-METHYL-PHENOL TARTRATE;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H31NO",
"molecular_weight": "325.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 113 ± 26.7 L",
"route_of_elimination": "Following administration of a 5-mg oral dose of 14C-tolterodine solution to healthy volunteers, 77% of radioactivity was recovered in urine and 17% was recovered in feces in 7 days.",
"protein_binding": "Approximately 96.3%.",
"half_life": "1.9-3.7 hours",
"absorption": "",
"cid": "443879",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G04BD07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01039"
]
},
{
"compound_ID": "D0496",
"name": "amineptine",
"synonyms": "Amineptine; Amineptin; 57574-09-1; Survector; Amineptino; Amineptinum; Amineptine [INN]; Amineptinum [INN-Latin]; Amineptino [INN-Spanish]; Amineptine (INN); S 1694; UNII-27T1I13L6G; EINECS 260-818-0; EU 1694; 7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)heptanoic acid; BRN 2170218; 7-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)amino)heptanoic acid; CHEMBL418995; CHEBI:32499; 27T1I13L6G; NCGC00183843-01; Heptanoic acid,7-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)amino]-; HEPTANOIC ACID, 7-((10,11-DIHYDRO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YL)AMINO)-; Survector (TN); 10,11-dihydrodibenzo(a,d)cyclohept-5-enyl-7-aminoheptanoic acid; DSSTox_CID_28757; DSSTox_RID_83026; DSSTox_GSID_48831; SCHEMBL34086; DTXSID1048831; CTK5A7086; ONNOFKFOZAJDHT-UHFFFAOYSA-N; ZINC2001740; Tox21_113313; 3440AH; BDBM50292474; AKOS030242481; API0008877; CS-1325; DB04836; HY-16044; LS-74382; CAS-57574-09-1; FT-0662129; A14998; D07335; W-5169; 574A091; Q44822059;",
"trade_name": "Survector",
"abbrev_name": "",
"description": "atypical antidepressant of the tricyclic antidepressant (TCA)",
"molecular_formula": "C22H27NO2",
"molecular_weight": "337.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "48 minutes for the parent drug and 2.5 hours for the metabolites.",
"absorption": "",
"cid": "34870",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AA19",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F010503",
"F020103",
"F02060101"
],
"references": [
"RC01040",
"RC01066",
"RC01083",
"RC03812"
]
},
{
"compound_ID": "D0497",
"name": "chenodeoxycholic acid",
"synonyms": "chenodeoxycholic acid; Chenodiol; Chenic acid; Chenix; Cdca; Chenodeoxycholate; 474-25-9; Chenodesoxycholic acid; Gallodesoxycholic acid; Chendol; Anthropodeoxycholic acid; Anthropodesoxycholic acid; Chenofalk; Anthropododesoxycholic acid; Chenodesoxycholsaeure; Henohol; Xenbilox; Chenique Acid; Chenocholic acid; Chenodiol [USAN]; 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid; Sodium chenodeoxycholate; Acido chenodeoxicholico; 3alpha,7alpha-Dihydroxy-5beta-cholanic acid; Chenodesoxycholsaeure [German]; Acide chenodeoxycholique; 7-alpha-Hydroxylithocholic acid; Acidum chenodeoxycholicum; UNII-0GEI24LG0J; 7alpha-hydroxylithocholic acid; Acide chenodeoxycholique [INN-French]; Acido chenodeoxicholico [INN-Spanish]; Acidum chenodeoxycholicum [INN-Latin]; Chendeoxycholic Acid; 3-alpha,7-alpha-Dihydroxycholanic acid; CCRIS 2195; EINECS 207-481-8; 3-alpha,7-alpha-Dihydroxycholansaeure [German]; 3-alpha,7-alpha-Dihydroxycholansaeure; NSC 657949; 0GEI24LG0J; 3-alpha,7-alpha-Dihydroxy-5-beta-cholan-24-oic acid; CHEBI:16755; Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-; RUDATBOHQWOJDD-BSWAIDMHSA-N; Chenodiol (USAN); Cholan-24-oic acid, 3,7-dihydroxy-, (3a,5b,7a)-; (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; 5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-; (3alpha,5beta,7alpha,8xi)-3,7-dihydroxycholan-24-oic acid; DSSTox_CID_260; DSSTox_RID_75469; DSSTox_GSID_20260; (3beta,7beta,8xi,9xi,14xi,17alpha)-3,7-dihydroxycholan-24-oic acid; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)-; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)- (9CI); 5beta-Cholanic acid-3alpha,7alpha-diol; (4R)-4-((1S,2S,7S,11S,5R,9R,10R,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo [8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid; (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid; (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; Chenocedon; Chendal; Chenocol; Chenodex; Chenorm; Chenossil; Cholanorm; Fluibil; Hekbilin; Kebilis; Cholan-24-oic acid, 3,7-dihydroxy-, (3.alpha.,5.beta.,7.alpha.)-; NSC657949; NSC-657949; NCGC00016387-02; CAS-474-25-9; JN3; (+)-chenodeoxycholate; Prestwick0_000285; Prestwick1_000285; Prestwick2_000285; Prestwick3_000285; Spectrum5_002009; CHENIX (TN); (+)-chenodeoxycholic acid; (S)-Chenodeoxycholic Acid; bmse000908; 7a-Hydroxy-desoxycholsaeure; EC 207-481-8; BIDD:PXR0056; Chenodeoxycholic acid [INN]; SCHEMBL25055; BSPBio_000190; GTPL608; MLS002154253; 3a,7a-dihydroxy-5b-cholanate; SPBio_002409; BPBio1_000210; CHEMBL240597; Chenodeoxycholic acid, >=97%; DTXSID2020260; 7.alpha.-Hydroxylithocholic acid; BDBM21674; 3a,7a-dihydroxy-5b-cholanic acid; HMS1568J12; HMS2095J12; HMS2234I22; HMS3712J12; Chenodeoxycholic acid (JP16/INN); Chenodeoxycholic acid (JP17/INN); ZINC3914808; Tox21_110412; Tox21_200491; 3a,7a-dihydroxy-5b-cholan-24-oate; HSCI1_000210; LMST04010032; SBB002935; AKOS024280614; CCG-220285; CS-0834; DB06777; LS-7259; MCULE-3421183878; SMP1_000064; 3.alpha.,7.alpha.-Dihydroxycholansaeure; 3a,7a-dihydroxy-5b,14a,17b-cholanate; 3a,7a-dihydroxy-5b-cholan-24-oic acid; NCGC00142400-03; NCGC00142400-04; NCGC00258045-01; 3.alpha.,7.alpha.-Dihydroxycholanic acid; AS-13636; HY-76847; SMR000857194; ST033520; AB2000327; TR-017501; 3a,7a-dihydroxy-5b,14a,17b-cholanic acid; AB00513822; S1843; (3a,5b,7a)-3,7-dihydroxy-cholan-24-oate; 3alpha, 7alpha-dihydroxy-5beta-cholanoic acid; 3alpha, 7alpha,-dihydroxy-5beta-cholanic acid; C-2900; C02528; D00163; J10019; W-5059; (3a,5b,7a)-3,7-dihydroxy-cholan-24-oic acid; 25795-EP2289883A1; 25795-EP2295411A1; 25795-EP2315303A1; AB00513822-06; AB00513822_07; Chenodiol;Chenodesoxycholic acid;Chenocholic acid; Q419028; 3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholanic acid; Dihydroxy-3.alpha.,7.alpha.(5.beta.)Cholanic acid; Leadiant (formerly Chenodeoxycholic acid sigma-tau); (3|A,5|A,7|A)-3,7-Dihydroxycholan-24-oic Acid; 3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholanoic acid; BRD-K18135438-001-16-7; 0DBBBC66-0CFA-4DB9-97F4-5B1492756A02; Z1270387252; 3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholan-24-oic acid; UNII-JIY1ILR284 component RUDATBOHQWOJDD-BSWAIDMHSA-N; 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-; (3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid; 3,7-Dihydroxycholan-24-oic acid, (3.alpha.,5.beta.,7.alpha.)- #; Chenodeoxycholic acid, 500 mug/mL in methanol, certified reference material; Chenodeoxycholic acid, European Pharmacopoeia (EP) Reference Standard; Cholan-24-oic acid, 3,7-dihydroxy-, (3-.alpha., 5-.beta., 7-.alpha.)-; (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadecan-14-yl]pentanoic acid; (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]pentanoic acid;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H40O4",
"molecular_weight": "392.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "About 80% of its bacterial metabolite lithocholate is excreted in the feces.",
"protein_binding": "",
"half_life": "",
"absorption": "Chenodiol is well absorbed from the small intestine.",
"cid": "10133",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A05AA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010401",
"F0105",
"F020103"
],
"references": [
"RC01041",
"RC01067",
"RC01084"
]
},
{
"compound_ID": "D0499",
"name": "phenytoin",
"synonyms": "phenytoin; 5,5-DIPHENYLHYDANTOIN; 57-41-0; Diphenylhydantoin; Dilantin; 5,5-diphenylimidazolidine-2,4-dione; Phenytoine; Dihydantoin; Aleviatin; Dilabid; Diphantoin; Diphenylan; Zentropil; Epamin; Diphedan; Fenylepsin; Lepitoin; Phentytoin; Sodanton; Difenin; Dihycon; Lehydan; Diphenylhydatanoin; Dantoinal; Di-Hydan; Dilantine; Dillantin; Diphenine; Diphentyn; Ditoinate; Elepsindon; Epilantin; Fenitoina; Fenytoine; Hidantilo; Hidantina; Hidantomin; Hydantoinal; Kessodanten; Phanantin; Phanatine; Phenatoine; Sodantoin; Sylantoic; Thilophenyl; Zentronal; Auranile; Dantinal; Dantoine; Difetoin; Difhydan; Dintoin; Dintoina; Diphedal; Diphenin; Enkelfel; Epifenyl; Epihydan; Fentoin; Hidantal; Hydantal; Idantoil; Idantoin; Labopal; Phentoin; Ritmenal; Saceril; Sanepil; Silantin; Solantin; Danten; Denyl; Epelin; Epinat; Epised; Eptal; Hidan; Lepsin; Ekko; Ictalis simple; Toin unicelles; Dilantin acid; Dantoinal klinos; Om-Hydantoine; Di-Phetine; Epdantoine simple; Hidantina vitoria; Gerot-epilan-D; Epilan-D; Neosidantoina; Comitoina; Hidantina senosian; Hydantol; Minetoin; Novantoina; Causoin; Convul; Di-Lan; Ekko capsules; Neos-Hidantoina; Om hidantoina simple; TOIN; Phenhydanin; Phenytex; Sinergina; Sodanthon; Iphenylhydantoin; Phenytoin-Gerot; 2,4-Imidazolidinedione, 5,5-diphenyl-; Difenilhidantoina; Fenytoin Dak; Didan TDC 250; Dilantin-125; Epdantoin Simple; Phenytoin AWD; Epilan D; Novophenytoin; Phenytoinum; Diphenat; Hindatal; Hydantin; Epanutin; Fenitoina [INN-Spanish]; Phenytoine [INN-French]; Phenytoinum [INN-Latin]; 5,5-Diphenyl-2,4-imidazolidinedione; Difenilhidantoina [Spanish]; Diphenylhydantoine [French]; Citrulliamon; 5,5-Dwufenylohydantoina; Antisacer; Phenitoin; Comital; Fenantoin Mn Pharma; Diphenylhydantoine; Di-Lan (VAN); Diphenylhydantoin (VAN); Diphentoin; DILANTIN-30; Solantoin; Solantyl; Eptoin; DPH (VAN); PHENYTEK; PHENYTOIN SODIUM; Fenidantoin \"s\"; 5,5-Diphenylimidazolidin-2,4-dione; 5,5-Diphenyl-imidazolidine-2,4-dione; 5,5-Diphenylhydantoin (IUPAC); Phenhydan; 5,5-Dwufenylohydantoina [Polish]; Hydantoin, 5,5-diphenyl-; Epasmir \"5\"; Didan-tdc-250; CCRIS 515; CHEBI:8107; NCI-C55765; 5,5-Diphenylhydantoin (phenytoin); UNII-6158TKW0C5; fenidantoin ''s''; epasmir ''5''; AI3-52498; CXOFVDLJLONNDW-UHFFFAOYSA-N; NSC 8722; Dilantin (TN); EINECS 200-328-6; MFCD00005264; MLS000069789; Extended Phenytoin Sodium; Fenitoin; 5,5-diphenyltetrahydro-1H-2,4-imidazoledione; Fenidantoin s; NSC8722; 6158TKW0C5; NSC-8722; Epasmir 5; HSDB 3160; NCGC00021139-03; SMR000059026; DSSTox_CID_541; 630-93-3; DSSTox_RID_75650; DSSTox_GSID_20541; 5,5-Diphenylhydantoin, 99+%; elepsi ndon; phenat ine; Dihydan toin; fen toin; taco sal; ictalis simp le; CAS-57-41-0; phenytoin (PHN); 5,5-diphenyl-1,3-diazolidine-2,4-dione; component of Mebroin; Phenytoin [USAN:INN:BAN:JAN]; SR-01000075211; IFLab1_000214; Fenidantoin 's'; Dilantin,Phenytoin; PHENYTOIN SODIUM, EXTENDED; Phenytoin-Lepitoin; Episar (Salt/Mix); Epasmir '5'; Aladdin (Salt/Mix); Alepsin (Salt/Mix); Epsolin (Salt/Mix); Phenytoin (Lepitoin); Tacosal (Salt/Mix); Phenytoin [USAN:USP:INN:BAN:JAN]; Antisacer (Salt/Mix); Epdantoin (Salt/Mix); Epileptin (Salt/Mix); Hydantoin,5-diphenyl-; Spectrum_001105; Fenigramon (Salt/Mix); 5,5-diphenyl hydantoin; Citrullamon (Salt/Mix); Opera_ID_394; PHENYTOIN (5,5-DIPHENYLHYDANTOIN); 2, 5,5-diphenyl-; CHEMBL16; Spectrum2_001281; Spectrum3_000890; Spectrum4_000984; Spectrum5_001369; Lopac-D-4007; ACMC-1AMO9; Epitope ID:117723; D 4007; SCHEMBL3440; BIDD:PXR0090; Lopac0_000329; Lopac0_000378; Oprea1_373280; BSPBio_001437; KBioGR_001387; KBioSS_001585; KSC493O2R; MLS001074087; MLS002454401; BIDD:GT0625; DivK1c_000507; Soluble phenytoin (Salt/Mix); 3-(4-iodophenyl)acrylic acid; SPBio_001281; Phenytoin (JP17/USP/INN); GTPL2624; 2-hydroxy-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one; DTXSID8020541; CTK3J3728; KBio1_000507; KBio2_001585; KBio2_004153; KBio2_006721; KBio3_001780; WLN: T5MVMV EHJ ER& ER; 5,5-Diphenylhydantoin, >=99%; NINDS_000507; Phenytoin 1.0 mg/ml in Methanol; SM-88 COMPONENT PHENYTOIN; HMS1412J16; HMS1694O05; HMS1791H19; HMS1989H19; HMS2089E11; HMS2236J06; HMS3261K17; HMS3402H19; HMS3657O03; BCP05960; HY-B0448; Hydantoin, 5,5-diphenyl- (8CI); KS-00000C9F; ZINC2510358; Tox21_110861; Tox21_202299; Tox21_300281; Tox21_500378; AC-376; ANW-32714; BBL027509; BDBM50003655; BDBM50101816; s2525; SBB057224; STK058029; STK182871; STL454130; AKOS000416887; AKOS003245432; Tox21_110861_1; 5,5-diphenylimidazolidine-2,4-dione.; CCG-104011; CCG-221682; CS-2559; DB00252; LP00378; MCULE-2376673346; NE10390; RTR-037347; TRA0089622; 5,5-di(phenyl)imidazolidine-2,4-dione; IDI1_000507; IDI1_008433; NCGC00015342-01; NCGC00015342-02; NCGC00015342-03; NCGC00015342-04; NCGC00015342-05; NCGC00015342-06; NCGC00015342-07; NCGC00015342-08; NCGC00015342-09; NCGC00015342-10; NCGC00021139-01; NCGC00021139-02; NCGC00021139-04; NCGC00021139-05; NCGC00021139-06; NCGC00021139-07; NCGC00021139-08; NCGC00021139-09; NCGC00021139-10; NCGC00021139-11; NCGC00091492-01; NCGC00091492-02; NCGC00091492-03; NCGC00091492-04; NCGC00091492-05; NCGC00093810-01; NCGC00093810-02; NCGC00254135-01; NCGC00259848-01; NCGC00261063-01; 5,5-?Diphenyl-?2,4-?imidazolidinedione; CPD000059026; SAM002554893; SC-16138; SC-39400; 5,5-Diphenyl-1H-imidazolidine-2,4-dione; AB1000452; TR-037347; D0894; EU-0100378; FT-0699999; P-235; ST45024762; SW203757-2; EN300-16818; C07443; D00512; 2,4-Imidazolidinedione, 5,5-diphenyl- (9CI); 5,5-diphenyl-1H-imidazole-2,4(3H,5H)-dione; AB00374253-10; AB00374253-11; AB00374253_13; A831435; Q410400; SR-01000003141; SR-01000003141-8; SR-01000075211-2; W-105468; BRD-K55930204-001-02-7; BRD-K55930204-236-11-0; Z56786458; 4-hydroxy-5,5-diphenyl-1,5-dihydro-2H-imidazol-2-one; F0020-1370; Phenytoin, European Pharmacopoeia (EP) Reference Standard; Phenytoin, United States Pharmacopeia (USP) Reference Standard; 5,5-Diphenylhydantoin solution, drug standard, 1.0 mg/mL in methanol; Phenytoin, Pharmaceutical Secondary Standard; Certified Reference Material; Phenytoin for system suitability, European Pharmacopoeia (EP) Reference Standard; Phenytoin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; InChI=1/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H12N2O2",
"molecular_weight": "252.27",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Most of the drug is excreted in the bile as inactive metabolites which are then reabsorbed from the intestinal tract and excreted in the urine. Urinary excretion of phenytoin and its metabolites occurs partly with glomerular filtration but, more importantly, by tubular secretion.",
"protein_binding": "Highly protein bound, 90%. There are reports indicating that a low content of albumin in the body can produce a significant increase in the free phenytoin producing an increase in the frequency and/or potency of side effects such as somnolence, confusion and ataxia.[A40114]",
"half_life": "22 hours (range of 7 to 42 hours)",
"absorption": "Bioavailability 70-100% oral, 24.4% rectal. Rapid rate of absorption with peak blood concentration expected in 1½ to 3 hours.",
"cid": "1775",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N03AB52; N03AB02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01071",
"RC01088"
]
},
{
"compound_ID": "D0500",
"name": "pirprofen",
"synonyms": "Pirprofen; Rengasil; 31793-07-4; Pirprofene [INN-French]; Pirprofenum [INN-Latin]; Pirprofeno [INN-Spanish]; SU-21524; EINECS 250-805-8; BRN 1686438; SU 21524; Hydratropic acid, 3-chloro-4-(3-pyrrolin-1-yl)-; 3-CHLORO-4-(3-PYRROLIN-1-YL)HYDRATROPIC ACID; C13H14ClNO2; Pirprofene; Pirprofeno; Pirprofenum; 2-[3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propanoic acid; Benzeneacetic acid, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-alpha-methyl-; Pirprofen [USAN:BAN:INN]; Pirprofen [USAN:INN:BAN]; Pirprofen (USAN/INN); SCHEMBL24311; 5-20-04-00276 (Beilstein Handbook Reference); 2-(3-chloro-4-(3-pyrroli-1-yl)phenyl)propionic acid; CHEMBL188952; DTXSID7023489; CHEBI:135028; DB13722; LS-76353; D05515; Q3905662;",
"trade_name": "",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID)",
"molecular_formula": "C13H14ClNO2",
"molecular_weight": "251.71",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "35935",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M01AE08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F010502",
"F020103",
"F02060101"
],
"references": [
"RC01047",
"RC01072",
"RC01089",
"RC03802"
]
},
{
"compound_ID": "D0501",
"name": "citalopram",
"synonyms": "citalopram; 59729-33-8; Nitalapram; Celexa; Cipram; Citalopramum [INN-Latin]; Bonitrile; [3H]Citalopram; Lu-10-171; C20H21FN2O; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile; EINECS 261-891-1; Lu 10-171; CHEMBL549; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; 1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; CHEBI:77397; WSEQXVZVJXJVFP-UHFFFAOYSA-N; 1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile; 1,3-Dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile; [3H]-Citalopram; Citalopramum; Cytalopram; 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-; Citalopram [INN:BAN]; Perrigo citalopram; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carb onitrile; 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-; 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-; SMR000465669; Citadur (TN); Citalopram [Celexa]; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile; Citalopram (USP/INN); Citalopram [USP:INN:BAN]; 1-[3-(dimethylamino)propyl]-1-(p-fluorophenyl)-5-phthalancarbonitrile; [3H]Cytalopram; 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; [3H]Escitalopram; [3H]Lexapro; Citalopram-d4 oxalate; Escitalopram Impurity A; Prestwick3_000692; SCHEMBL946; Lopac0_000258; BSPBio_000843; MLS000028578; MLS006011858; BPBio1_000929; GTPL4621; GTPL7547; DTXSID8022826; BDBM25870; WSEQXVZVJXJVFP-UHFFFAOYSA-; HMS2090O09; HMS2093A14; HMS3259B10; ACT02666; BBL029066; LU-10171B; STL058639; AKOS005711003; AC-8894; CCG-204353; DB00215; MCULE-5882770916; NC00711; VA10838; (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; MRF-0000302; NCGC00015267-04; NCGC00015267-05; NCGC00015267-07; NCGC00015267-09; NCGC00015267-12; NCGC00025160-02; CPD000465669; LS-84327; SAM002589960; SC-16253; ST069372; SBI-0050246.P002; AB00513896; FT-0657967; 4793-EP2275420A1; 4793-EP2284166A1; 4793-EP2298764A1; 4793-EP2298765A1; 4793-EP2305648A1; C07572; D07704; EN300-304884; AB00513896-09; AB00513896-11; AB00513896_12; AB00513896_13; 729C338; L001223; Q409672; SR-01000003129-8; BRD-A47598013-004-02-0; BRD-A47598013-004-06-1; 1-(3'-dimethylaminopropyl)-1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; 1-(3-(dimethylamino)propyl)-1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; 1-(3-Dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile; 1-[3-(dimethylamino) propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzo[b]furancarbonitrile; 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro[3,4]benzofuran-5-carbonitrile; 5-Cyano-1-(4-fluorophenyl)-1-(3-dimethylaminopropyl)-1,3-dihydro-isobenzofuran; InChI=1/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H21FN2O",
"molecular_weight": "324.4",
"state": "solid",
"clearance": "The systemic clearance of citalopram is 330 mL/min, with approximately 20% renal clearance [FDA label].",
"volume_of_distribution": "12 L/kg [FDA label]\n\nCitalopram is highly lipophilic and likely widely distributed throughout the body, including the blood-brain-barrier. However, its metabolite, _demethylcitalopram_ does not penetrate the blood-brain-barrier well [FDA label].",
"route_of_elimination": "12-23% of an oral dose of citalopram is found unchanged in the urine, while 10% of the dose is found in the faeces [FDA label].",
"protein_binding": "Citalopram, dimethylcitalopram, and didemethylcitalopram are 80% bound to plasma proteins [FDA label].",
"half_life": "About 35 hours [FDA label]. \n\n",
"absorption": "Rapidly and well absorbed from the GI tract. Peak plasma concentrations occur within 4 hours of a single orally administered dose. Bioavailability is 80% following oral administration. Food does not affect absorption [FDA label].",
"cid": "2771",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AB04",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002"
],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01052",
"RC01053",
"RC01054",
"RC01075",
"RC01092"
]
},
{
"compound_ID": "D0502",
"name": "propranolol",
"synonyms": "propranolol; Propanolol; beta-Propranolol; 525-66-6; Anapriline; Betalong; Euprovasin; Propanalol; Avlocardyl; Dociton; Proprasylyt; Propanix; Reducor; Inderal; propranololo; Betadren; Corpendol; Sawatal; Sumial; Racemic propranolol; Propranololum; D,L-Propranolol; (+-)-Propranolol; Propranololo [DCIT]; Propranolol [INN:BAN]; Propanolol [INN-Spanish]; Propranololum [INN-Latin]; CCRIS 3082; 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; AY-20694; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol; CHEMBL27; EINECS 208-378-0; EINECS 235-867-6; 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol; 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol; 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-; CHEBI:8499; 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-; AQHHHDLHHXJYJD-UHFFFAOYSA-N; Inderol; Pranolol; 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol; 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)-; 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-; Inderal hydrochloride; 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol; (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol; hemangiol; Propranalol; [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine; Bedranol; Obzidan; dl-propranolol; AY 20694; racemic-Propranolol; NSC91523; b-Propranolol; Propranolol (TN); .beta.-Propranolol; Propranolol (INN); 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol; Dociton (Salt/Mix); Inderal (Salt/Mix); Obsidan (Salt/Mix); Propanolol,(+/-); PROPRANOLOL, d; Avlocardyl (Salt/Mix); PROPANOLOL(-); Prestwick0_000952; Prestwick1_000952; Prestwick2_000952; Prestwick3_000952; PROPRANOLOL,(+); PROPRANOLOL,(-); Spectrum2_001301; Spectrum2_001699; Spectrum3_000883; Spectrum3_001071; Spectrum4_000974; Spectrum4_001222; Spectrum5_000751; (.+/-.)-Propranolol; SCHEMBL3955; Lopac0_000896; Oprea1_304193; BSPBio_000944; BSPBio_002682; CBDivE_006180; GTPL564; KBioGR_001347; KBioGR_001684; KBioGR_002515; KBioSS_002523; ARONIS27011; DivK1c_000023; SPBio_001361; SPBio_001658; SPBio_003093; BPBio1_001040; ICI 45520 (Salt/Mix); NSC 91523 (Salt/Mix); DTXSID6023525; SCHEMBL12264958; BDBM25761; CTK8I6896; HY-B0573B; KBio1_000023; KBio2_002515; KBio2_005083; KBio2_007651; KBio3_001766; KBio3_001902; KBio3_002993; cMAP_000071; NINDS_000023; (A+/-)-Propranolol hydrochloride; Bio1_000367; Bio1_000856; Bio1_001345; HMS2090L21; HMS3428G03; ALBB-023324; BCP26001; KS-00002WT3; BBL023437; PDSP1_000767; PDSP1_001607; PDSP1_001608; PDSP2_000755; PDSP2_001591; PDSP2_001592; STK735510; AKOS000588816; AKOS016050338; CCG-103643; DB00571; FE-0204; MCULE-7804628650; IDI1_000023; NCGC00015798-04; NCGC00015798-05; NCGC00015798-06; NCGC00015798-07; NCGC00015798-08; NCGC00015798-09; NCGC00024690-02; NCGC00024690-03; 13013-17-7; ST024757; SBI-0050871.P003; AB0108847; AY-64043-; LS-122410; LS-184129; AB00053537; CS-0069968; FT-0700657; T7896; EN300-40731; C07407; D08443; AB00053537-10; AB00053537_11; AB00053537_12; 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol; 525P666; L000679; Q423364; 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol; 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol; 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol; W-109550; 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol; BRD-A10070317-003-06-9; BRD-A10070317-003-17-6; 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol; 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane; F0001-3681; 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol; 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol; 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI); 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)-; 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI); (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material;",
"trade_name": "Inderal",
"abbrev_name": "",
"description": "beta blocker",
"molecular_formula": "C16H21NO2",
"molecular_weight": "259.34",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 4 L",
"route_of_elimination": "Propranolol is extensively metabolized with most metabolites appearing in the urine.",
"protein_binding": "More than 90%",
"half_life": "4 hours",
"absorption": "Propranolol is almost completely absorbed from the GI tract; however, plasma concentrations attained are quite variable among individuals.",
"cid": "4946",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C07BA05; C07FX01; C07AA05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F010503",
"F020103"
],
"references": [
"RC01056",
"RC01077",
"RC01094",
"RC03811"
]
},
{
"compound_ID": "D0503",
"name": "aristolochic acid",
"synonyms": "Aristolochic acid; Aristolochic acid A; Aristolochic acid I; 313-67-7; Aristolochin; Tardolyt; Birthwort; Aristolochic acid-I; ARISTOLOCHINE; TR 1736; Aristolochiazaeure; C17H11NO7; NSC11926; NSC-50413; Aristolochic-acid-A; UNII-94218WFP5T; CCRIS 1544; NSC50413; EINECS 206-238-3; NSC 11926; NSC 50413; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid; 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid; BRN 0345159; CHEMBL93353; MLS002702976; CHEBI:2825; 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid; 94218WFP5T; Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; 8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure; Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; Q-100394; 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid; 8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID; SMR001562128; Aristolochic acid 1; Aristolochic acid, 96%, mixture of I and II; SR-05000002369; Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; aris-tolochic acid; Spectrum_001156; SpecPlus_000448; Spectrum2_000822; Spectrum3_001114; Spectrum4_001952; Spectrum5_000729; Aristolochic acid A,(S); ZINC52; NCIMech_000812; Aristolochic acid I, powder; BSPBio_001440; BSPBio_002848; KBioGR_000160; KBioGR_002387; KBioSS_000160; KBioSS_001636; MLS002695974; DivK1c_006544; SCHEMBL166284; SPECTRUM1502233; SPBio_000743; DTXSID0040969; CTK4G6973; HSDB 7179; KBio1_001488; KBio2_000160; KBio2_001636; KBio2_002728; KBio2_004204; KBio2_005296; KBio2_006772; KBio3_000319; KBio3_000320; KBio3_002068; BBFQZRXNYIEMAW-UHFFFAOYSA-N; Bio1_000418; Bio1_000907; Bio1_001396; Bio2_000160; Bio2_000640; HMS1361H22; HMS1791H22; HMS1989H22; HMS3402H22; HY-N0510; TNP00273; 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid; 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid; 8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid; BDBM50306855; CCG-35796; CCG-36162; MFCD00004996; NSC-11926; s9193; AKOS015896751; API0000398; MCULE-3861334509; IDI1_033910; NCGC00017334-01; NCGC00017334-02; NCGC00017334-03; NCGC00017334-04; NCGC00017334-05; NCGC00017334-06; NCGC00017334-07; NCGC00095981-01; NCGC00095981-02; NCGC00095981-03; NCGC00095981-04; NCGC00095981-05; AK168151; CC-24181; LS-21656; NCI60_000460; SC-14173; ST057179; AB0028965; DB-048017; TR-013344; CS-0009050; FT-0602867; N2032; ST50307164; X1086; C08469; 313A677; C-20352; SR-05000002369-2; SR-05000002369-3; Q21099362; A000071790; 8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-; Aristolochia, European Pharmacopoeia (EP) Reference Standard; 8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; Aristolochic acid I, European Pharmacopoeia (EP) Reference Standard; 8-methoxy-6-nitro-2H-phenanthro[3,4-d]1,3-dioxolene-5-carboxylic acid; 8-methoxy-6-nitro-2H-phenanthro[4,3-d]1,3-dioxolene-5-carboxylic acid; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid #; Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-; 61117-05-3; GOQ;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H11NO7",
"molecular_weight": "341.27",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2236",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F010401",
"F0105",
"F020103"
],
"references": [
"RC01057",
"RC01078",
"RC01095"
]
},
{
"compound_ID": "D0504",
"name": "ochratoxin a",
"synonyms": "OCHRATOXIN A; 303-47-9; Antibiotic 9663; Phenylalanine - ochratoxin A; NCI-C56586; (-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine; NSC 201422; C20H18ClNO6; CHEBI:7719; OTA; RWQKHEORZBHNRI-BMIGLBTASA-N; Ochratoxin A, aspergillus ochraceus; Ochratoxin A-BSA conjugate from Aspergillus ochraceus; N-(((3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine; UNII-1779SX6LUY; L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-; N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine; CCRIS 2382; HSDB 4305; EINECS 206-143-7; Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-; BRN 1301486; (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid; (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid; Ochratoxin A 10 microg/mL in Acetonitrile; 3R14S-Ochratoxin A; 1779SX6LUY; Alanine, N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)-; (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1 H-2-benzopyran-7-yl)carbonyl)phenylalanine; (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo(c)pyran-7-yl)carbonyl)-3-phenylalanine; L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)-; Ochratoxin A(OTA); Ochratoxin A, 99+%; CBiol_002012; SCHEMBL15105; CHEMBL589366; GTPL4672; MEGxm0_000357; DTXSID7021073; ACon0_000200; ACon1_001268; BIO1001; ZX-AFC000190; ZX-AFC000204; Bio1_000298; Bio1_000787; Bio1_001276; ZINC3861782; MFCD00078079; AKOS024456512; LS-1157; MCULE-3363875457; N-[(3R)-(5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L-phenylalanine; SMP2_000132; NCGC00162403-01; NCGC00162403-02; NCGC00162403-03; NCGC00162403-04; NCGC00162403-05; ST50826330; C09955; J-017922; Ochratoxin A 10 microg/mL in Acetonitrile:Methanol; Q1885038; BRD-K39944607-001-01-4; Ochratoxin A, from Petromyces albertensis, >=98% (HPLC); Ochratoxin A, reference material, from Aspergillus ochraceus; Ochratoxin A, purum, >=98.0% (TLC), from Aspergillus ochraceus; Ochratoxin A solution, 10 mug/mL in acetonitrile, analytical standard; (-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl-3-phenylalanine; (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid; (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)-carbonyl)-L-phenylalanine; (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine; (S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxamido)-3-phenylpropanoic acid; 2-[((3R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-yl)carbonylamino](2S)-3 -phenylpropanoic acid; InChI=1/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26; N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine; N-[(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]phenylalanine, 9CI; N-[[(3R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine; N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine; NCGC00162403-05_C20H18ClNO6_L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-; Ochratoxin A solution, certified reference material, 50 mug/mL in benzene: acetic acid (99:1), ampule of 1 mL;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H18ClNO6",
"molecular_weight": "403.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "442530",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01060",
"RC01061",
"RC01080",
"RC01097"
]
},
{
"compound_ID": "D0505",
"name": "tacrolimus",
"synonyms": "tacrolimus; 104987-11-3; Prograf; Protopic; Fujimycin; FK506; Tacrolimus anhydrous; Advagraf; Modigraf; Protopy; Fk-506; Anhydrous Tacrolimus; tacrolimus (fk506); Tsukubaenolide; FR-900506; LCP-Tacro; FK 506; 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN; UNII-Y5L2157C4J; Astagraf XL; (-)-FK 506; Prograf (TN); FR900506; CHEMBL269732; CHEBI:61049; Y5L2157C4J; TACROLIMUS MONOHYDRATE; K506; Tacrolimus (anhydrous); NCGC00163470-03; Prograft; Tacrolimus [USAN]; CCRIS 7124; Avagraf; Envarsus; Graceptor; L 679934; Envarsus XR; (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone; (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)tetrone; Tacrolimus (INN); Tacrolimus, anhydrous; MFCD11045918; SR-05000001879; Tacrolimus [USAN:INN]; Hecoria; Talymus; HSDB 8195; FK-506/Tacrolimus; PubChem18875; FK-506 (Tacrolimus); SCHEMBL3088; DSSTox_CID_26354; DSSTox_RID_81557; DSSTox_GSID_46354; BSPBio_001279; CHEMBL66247; L-679934; GTPL6784; DTXSID5046354; CHEBI:93221; HMS503O21; QJJXYPPXXYFBGM-LFZNUXCKSA-N; C44H69NO12; HMS1792O21; HMS1990O21; HMS2093M19; HMS3403O21; Pharmakon1600-01503968; 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-; EX-A1677; Tox21_112056; ABP000474; BDBM50030448; BDBM50079777; LMPK04000003; NSC758659; s5003; AKOS005145901; ZINC169289411; AC-1182; AM81227; AT-2441; CS-1507; DB00864; NSC-758659; IDI1_001040; NCGC00163470-01; NCGC00163470-02; NCGC00163470-04; NCGC00163470-05; NCGC00163470-06; NCGC00163470-07; HY-13756; SC-13591; Fujimycin|||FK-506|||FR-900506; SBI-0052894.P002; AB0012538; CAS-104987-11-3; FT-0082660; M2258; C01375; D08556; EN300-221601; W-1246; AB01209746-01; AB01209746_03; 581T933; Q411648; Q-201775; SR-05000001879-1; SR-05000001879-2; SR-05000001879-5; BRD-K35452788-001-02-1; BRD-K69608737-001-03-7; BRD-K69608737-001-10-2; [(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-; 15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone,; (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone; (E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-[(E)-2-((3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone; 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyc; 4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-heptadecahydro-5,19-dihydroxy-3-; dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-,(3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS)-; lohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-; Tacrolimus solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material;",
"trade_name": "Prograf, Advagraf, Protopic",
"abbrev_name": "FK506, TAC",
"description": "calcineruin inhibitor; immunosuppressant.",
"molecular_formula": "C44H69NO12",
"molecular_weight": "804",
"state": "solid",
"clearance": "* 0.040 L/hr/kg [healthy subjects, IV]\n* 0.172 ± 0.088 L/hr/kg [healthy subjects, oral]\n* 0.083 L/hr/kg [adult kidney transplant patients, IV]\n* 0.053 L/hr/kg [adult liver transplant patients, IV]\n* 0.051 L/hr/kg [adult heart transplant patients, IV] \n* 0.138 ± 0.071 L/hr/kg [pediatric liver transplant patients]\n* 0.12 ± 0.04 (range 0.06-0.17) L/hr/kg [pediatric kidney transplant patients] \n* 0.038 ± 0.014 L/hr/kg [patients with renal impairment, 0.02 mg/kg/4 hr dose, IV]\n* 0.042 ± 0.02 L/hr/kg [Mild Hepatic Impairment, 0.02 mg/kg/4 hr dose, IV]\n* 0.034 ± 0.019 L/hr/kg [Mild Hepatic Impairment, 7.7 mg dose, PO]\n* 0.017 ± 0.013 L/hr/kg [Severe hepatic impairment, 0.02 mg/kg/4 hr dose, IV]\n* 0.016 ± 0.011 L/hr/kg [Severe hepatic impairment, 8 mg dose, PO]",
"volume_of_distribution": "* 2.6 ± 2.1 L/kg [pediatric liver transplant patients]\n* 1.07 ± 0.20 L/kg [patients with renal impairment, 0.02 mg/kg/4 hr dose, IV]\n* 3.1 ± 1.6 L/kg [Mild Hepatic Impairment, 0.02 mg/kg/4 hr dose, IV]\n* 3.7 ± 4.7 L/kg [Mild Hepatic Impairment, 7.7 mg dose, PO]\n* 3.9 ± 1.0 L/kg [Severe hepatic impairment, 0.02 mg/kg/4 hr dose, IV]\n* 3.1 ± 3.4 L/kg [Severe hepatic impairment, 8 mg dose, PO]",
"route_of_elimination": "In man, less than 1% of the dose administered is excreted unchanged in urine. When administered IV, fecal elimination accounted for 92.6±30.7%, urinary elimination accounted for 2.3±1.1%.",
"protein_binding": "~99% bound to human plasma protein, primarily to albumin and alpha-1-acid glycoprotein. This is independent of concentration over a range of 5-50 ng/mL.",
"half_life": "The elimination half life in adult healthy volunteers, kidney transplant patients, liver transplants patients, and heart transplant patients are approximately 35, 19, 12, 24 hours, respectively. The elimination half life in pediatric liver transplant patients was 11.5±3.8 hours, in pediatric kidney transplant patients was 10.2±5.0 (range 3.4-25) hours.",
"absorption": "Absorption of tacrolimus from the gastrointestinal tract after oral administration is incomplete and variable. The absolute bioavailability in adult kidney transplant patients is 17±10%; in adults liver transplant patients is 22±6%; in healthy subjects is 18±5%. The absolute bioavailability in pediatric liver transplant patients was 31±24%. Tacrolimus maximum blood concentrations (Cmax) and area under the curve (AUC) appeared to increase in a dose-proportional fashion in 18 fasted healthy volunteers receiving a single oral dose of 3, 7, and 10 mg. When given without food, the rate and extent of absorption were the greatest. The time of the meal also affected bioavailability. When given immediately after a meal, mean Cmax was reduced 71%, and mean AUC was reduced 39%, relative to the fasted condition. When administered 1.5 hours following the meal, mean Cmax was reduced 63%, and mean AUC was reduced 39%, relative to the fasted condition.",
"cid": "445643",
"classification": "D; L",
"indications": "",
"side_effects": "",
"atc_codes": "L04AD02; D11AH01",
"group": "Drug",
"drug_type": "",
"target": [
"T004"
],
"function": [
"F0105",
"F02010201",
"F02010203",
"F02010204",
"F02010207",
"F02010208",
"F02010209",
"F020103",
"F02110301",
"F0303",
"F030601",
"F0504",
"F070105"
],
"references": [
"RC01065",
"RC01082",
"RC01099",
"RC03840",
"RC03841",
"RC03842",
"RC03843",
"RC03844",
"RC03845",
"RC03846",
"RC03848",
"RC03850",
"RC03852",
"RC03854",
"RC03856",
"RC03858"
]
},
{
"compound_ID": "D0506",
"name": "rolliniastatin-2",
"synonyms": "Bullatacin; Rolliniastatin-2; SCHEMBL161086; LMPK03000011; Q949595;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C37H66O7",
"molecular_weight": "622.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "42607502",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001060"
],
"function": [
"F020103"
],
"references": [
"RC01101",
"RC01353"
]
},
{
"compound_ID": "D0507",
"name": "piericidin a",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01104"
]
},
{
"compound_ID": "D0508",
"name": "piericidin b",
"synonyms": "Piericidin B; Piericidin B(sub 1); Piericidin B1; 2,3-Dimethoxy-6-(10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5-methyl-4-pyridinol; 4-Pyridinol, 2,3-dimethoxy-6-(10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5-methyl-, (S-(R*,R*-(all-E)))-; 4-Pyridinol, 2,3-dimethoxy-6-(10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5-methyl-; 16891-54-6; LS-132997;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H39NO4",
"molecular_weight": "429.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6444339",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01105"
]
},
{
"compound_ID": "D0509",
"name": "aureothin",
"synonyms": "Aureothin; (+)-aureothin; SCHEMBL13645672; CHEBI:80024; ZINC4025640; AKOS015969696; AKOS016023667; C15689; Q27149169; 2-[(2R)-4-[2-Methyl-3-(4-nitrophenyl)-2-propenylidene]tetrahydrofuran-2beta-yl]-3,5-dimethyl-6-methoxy-4H-pyran-4-one; 2-Methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]oxolan-2-yl]-4H-pyran-4-one; 2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]tetrahydrofuran-2-yl]pyran-4-one; 2-methoxy-3,5-dimethyl-6-[(2R,4Z)-tetrahydro-4-[(2E)-2-methyl-3-(4-nitrophenyl)-2-propen-1-ylidene]-2-furanyl]-4H-pyran-4-one; 2-methoxy-3,5-dimethyl-6-[(2R,5Z)-5-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one; 2-methoxy-3,5-dimethyl-6-{(2R,4Z)-4-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran-2-yl}-4H-pyran-4-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H23NO6",
"molecular_weight": "397.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6569946",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01106",
"RC01363"
]
},
{
"compound_ID": "D0510",
"name": "amytal",
"synonyms": "amobarbital; Amylobarbitone; Barbamyl; Barbamil; Pentymal; Amytal; Amobarbitone; Amylbarbitone; Amylobarbital; Eunoctal; Isomytal; Talamo; Barbamyl acid; 57-43-2; Binoctal; Dorlotyn; Dormytal; Mylodorm; Pentymalum; Schiwanox; Sednotic; Stadadorm; Amasust; Amital; Amospan; Amybal; Robarb; Somnal; Sumital; Isomyl; AMAL; Isoamylethylbarbituric acid; Ethylisopentylbarbituric acid; 5-Ethyl-5-isoamylbarbituric acid; 5-Ethyl-5-isopentylbarbituric acid; 5-Ethyl-5-isoamylmalonyl urea; 5-Ethyl-5-(3-methylbutyl)barbituric acid; 5-Isoamyl-5-ethylbarbituric acid; Amobarbitale [DCIT]; Barbituric acid, 5-ethyl-5-isopentyl-; Amobarbitalum [INN-Latin]; NSC 10815; 5-Ethyl-5-isopentylbarbitursaeure; UNII-GWH6IJ239E; 5-Ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-; 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione; component of Dexamyl; component of Q-Caps; CCRIS 5454; HSDB 3286; component of 15-90; Amobarbital suppository dosage form; EINECS 200-330-7; component of Amo-Dextrosule; GWH6IJ239E; CHEBI:2673; 5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione; NCGC00247711-01; Amobarbitale; Amobarbitalum; Amobarbital [INN:JAN]; DEA No. 2125; WLN: T6VMVMV FHJ F2 F2Y1&1; Isomytal (TN); 2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-; 5-Ethyl-5-(3-methylbutyl)-2,6(1H,3H,5H)-pyrimidinetrione; Amobarbital [USP:INN:BAN:JAN]; Dexamyl (Salt/Mix); DSSTox_CID_81; Amobarbital (JP17/INN); DSSTox_RID_75353; BIDD:PXR0091; DSSTox_GSID_20081; Oprea1_587446; SCHEMBL43780; CBDivE_006514; DivK1c_000994; CHEMBL267894; DTXSID9020081; SCHEMBL15364946; component of Dexamyl (Salt/Mix); KBio1_000994; VIROVYVQCGLCII-UHFFFAOYSA-; component of Q-Caps (Salt/Mix); NINDS_000994; VIROVYVQCGLCII-UHFFFAOYSA-N; component of 15-90 (Salt/Mix); Amobarbital 0.1 mg/ml in Methanol; Amobarbital 1.0 mg/ml in Methanol; NSC10815; NSC32406; ZINC4811698; Tox21_112866; NSC-10815; NSC-32406; NSC120800; Barbituric acid, 5-ethyl-5-isoamyl-; API0001485; DB01351; LS-7196; NSC-120800; CAS-57-43-2; component of Amo-Dextrosule (Salt/Mix); IDI1_000994; FT-0662116; C07536; D00555; 057A558; Q415850; 5-Ethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione #; Amylobarbitone|||Amytal|||5-Ethyl-5-isoamylbarbituric acid; Amobarbital solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; InChI=1/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);",
"trade_name": "Amobarbital, amylobarbitone, sodium amytal",
"abbrev_name": "",
"description": "Complex I inhibitor; barbiturate with hypnotic and sedative properties",
"molecular_formula": "C11H18N2O3",
"molecular_weight": "226.27",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2164",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N05CA02",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01107",
"RC01385",
"RC03435"
]
},
{
"compound_ID": "D0511",
"name": "4-alkyl-acridones",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01108"
]
},
{
"compound_ID": "D0512",
"name": "4′-alkyl-mpp+ analoguesc",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01109"
]
},
{
"compound_ID": "D0513",
"name": "phenoxan",
"synonyms": "Phenoxan; 134332-63-1; NSC650914; 4H-Pyran-4-one, 3-ethyl-6-methoxy-5-methyl-2-(2-((3E)-3-methyl-4-phenyl-3-butenyl)-4-oxazolyl)-; 4H-Pyran-4-one, 3-ethyl-6-methoxy-5-methyl-2-[2-[(3E)-3-methyl-4-phenyl-3-butenyl]-4-oxazolyl]-; NSC 650914; CHEMBL2004336; SCHEMBL19717663; ZINC1632364; NSC-650914; 3-Ethyl-6-methoxy-5-methyl-2-(2-((3E)-3-methyl-4-phenyl-3-butenyl)-4-oxazolyl)-4H-pyran-4-one; 4H-Pyran-4-one,3-ethyl-6-methoxy-5-methyl-2-[2-[(3E)-3-methyl-4-phenyl-3-buten-1-yl]-4-oxazolyl]-; 4H-Pyran-4-one, 3-ethyl-6-methoxy-5-methyl-2-(2-(3-methyl-4-phenyl-3-butenyl)-4-oxazolyl)-, (E)-; 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenyl-but-3-enyl]oxazol-4-yl]pyran-4-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H25NO4",
"molecular_weight": "379.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5467345",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001061"
],
"function": [
"F020103"
],
"references": [
"RC01110",
"RC01355"
]
},
{
"compound_ID": "D0514",
"name": "quinol products",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T001062"
],
"function": [
"F020103"
],
"references": [
"RC01111"
]
},
{
"compound_ID": "D0515",
"name": "reduced q-2b",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T001062"
],
"function": [
"F020103"
],
"references": [
"RC01112"
]
},
{
"compound_ID": "D0516",
"name": "stigmatellin",
"synonyms": "stigmatellin; 91682-96-1; SCHEMBL14066517; 2-((7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-one;",
"trade_name": "",
"abbrev_name": "",
"description": "potent inhibitor of the quinol oxidation (Qo) site of the cytochrome bc1 complex in mitochondria and the cytochrome b6f complex of thylakoid membranes; Stigmatellin binds at the cytochrome b Qo site in the '(heme) bl distal' position, and associates with the Rieske iron-sulfur protein",
"molecular_formula": "C30H42O7",
"molecular_weight": "514.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5353970",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001062",
"T004001",
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01114",
"RC01156",
"RC01361",
"RC03440"
]
},
{
"compound_ID": "D0517",
"name": "TDS",
"synonyms": "",
"trade_name": "tridecyl stigmatellin",
"abbrev_name": "TDS",
"description": "complex I inhibitors; Type C—quinol antagonists",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001062"
],
"function": [
"F020103"
],
"references": [
"RC01115",
"RC01362"
]
},
{
"compound_ID": "D0518",
"name": "2M-TIO",
"synonyms": "2-methyl-6-(2-thienyl)imidazo[2,1-b]thiazole",
"trade_name": "",
"abbrev_name": "",
"description": "Antihelmintic mimics; quinol antagonists;",
"molecular_formula": "C10H8N2S2",
"molecular_weight": "220.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "388221",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001062"
],
"function": [
"F020103"
],
"references": [
"RC01116",
"RC01384"
]
},
{
"compound_ID": "D0519",
"name": "meperidine",
"synonyms": "meperidine; Pethidine; Demerol; Isonipecaine; Pethidin; Meperidol; Pethanol; Pethidineter; Phetidine; Pipersal; Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate; Nemerol; 57-42-1; Petydyna; Petydyna [Polish]; Lydol; 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester; Ethyl 1-methyl-4-phenylisonipecotate; Pethidinum [INN-Latin]; Petidina [INN-Spanish]; Methyl phenylpiperidine carbonic acid ethyl ester; Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester; 1-Methyl-4-phenylisonipecotic acid, ethyl ester; HSDB 3116; N-Methyl-4-phenyl-4-carbethoxypiperidine; 1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester; UNII-9E338QE28F; EINECS 200-329-1; CHEMBL607; Mepergan; 1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester; 1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester; CHEBI:6754; DEA No. 9230; Dolsin; 1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester [German]; XADCESSVHJOZHK-UHFFFAOYSA-N; 9E338QE28F; Mepridine; Isonipecain; Demarol; Pethidinum; Petidina; Piperosal; Operidine EPJ-I; 1-Methyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester; Pethidine (INN); Pethidine DBL (TN); Pethidine [INN:BAN]; Renaudin; Lidol (Salt/Mix); Lydol (Salt/Mix); Dolsin (Salt/Mix); Dolaren (Salt/Mix); Dolosal (Salt/Mix); Dispadol (Salt/Mix); Dolantin (Salt/Mix); Petantin (Salt/Mix); Operidine (Salt/Mix); Piridosal (Salt/Mix); 4-Carbethoxy-1-methyl-4-phenylpiperidine; Centralgin (Salt/Mix); Dolcontral (Salt/Mix); SCHEMBL25431; DivK1c_000983; GTPL7221; IDS-NP-001; ZINC1681; DTXSID9023253; KBio1_000983; NINDS_000983; YIsonipecotic acid, 1-methyl-4-phenyl-, ethyl ester (8CI); BDBM50026752; DB00454; IDI1_000983; LS-85121; DB-053051; C07128; D08343; Pethidine (Meperidine) 0.1 mg/ml in Methanol; Pethidine (Meperidine) 1.0 mg/ml in Methanol; Q55434; 4-Ethoxycarbonyl-1-methyl-4-phenyl-piperidinium; Ethyl 1-methyl-4-phenyl-4-piperidinecarboxylate; L000908; SR-01000944492; SR-01000944492-1; Meperidine solution, 1 mg/mL in methanol, drug standard; 1-Methyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester(Meperidine); Meperidine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H21NO2",
"molecular_weight": "247.33",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "4058",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001062"
],
"function": [
"F020103"
],
"references": [
"RC01117",
"RC01386"
]
},
{
"compound_ID": "D0521",
"name": "Diphenyleneiodonium chloride",
"synonyms": "diphenyleneiodonium",
"trade_name": "",
"abbrev_name": "DPI",
"description": "Flavin reagent; an inhibitor of NADPH oxidases (NOXes) and dual oxidases (DUOXes); potent and reversible inhibitor of nitric oxide synthetase; inhibits complex I",
"molecular_formula": "C12H8ClI",
"molecular_weight": "314.55",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2733504",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001063"
],
"function": [
"F020103"
],
"references": [
"RC01119",
"RC01414"
]
},
{
"compound_ID": "D0522",
"name": "ethoxyformic anhydride",
"synonyms": "DIETHYL CARBONATE; Ethyl carbonate; 105-58-8; Carbonic acid, diethyl ester; Carbonic acid diethyl ester; Eufin; Diatol; Diaethylcarbonat; Carbonic ether; Ethoxyformic anhydride; Diethylkarbonat; diethylcarbonate; Ethyl carbonate ((EtO)2CO); Diethylkarbonat [Czech]; Diaethylcarbonat [German]; NCI-C60899; NSC 8849; Diethylester kyseliny uhlicite; UNII-3UA92692HG; CCRIS 6229; HSDB 925; Diethyl carbonate, 99%; EINECS 203-311-1; UN2366; Diethylester kyseliny uhlicite [Czech]; AI3-00365; ethyl ethoxyformate; OIFBSDVPJOWBCH-UHFFFAOYSA-N; 3UA92692HG; Diethyl carbonate, 99%, anhydrous, AcroSeal(R); diethylcarbonat; DIethyl-carbonate; di-ethyl carbonate; Carbonic acid diethyl; ACMC-1BTHJ; carbonic acid diethylester; DSSTox_CID_5041; EC 203-311-1; SCHEMBL3673; DSSTox_RID_77636; WLN: 2OVO2; DSSTox_GSID_25041; C2H5OC(O)OC2H5; KSC492K2F; Diethyl ester of carbonic acid; CHEMBL1533495; DTXSID3025041; CTK3J2522; KS-00000VHI; NSC8849; ZINC388482; NSC-8849; Tox21_200769; ANW-15248; LS-388; MFCD00009107; SBB060086; Diethyl carbonate, analytical standard; AKOS000120910; Diethyl carbonate, anhydrous, >=99%; MCULE-1394890550; RTR-032181; TRA0084942; UN 2366; NCGC00091669-01; NCGC00091669-02; NCGC00258323-01; BP-21019; CAS-105-58-8; SC-25934; DB-029661; TR-032181; Diethyl carbonate, purum, >=98.0% (GC); FT-0624881; ST51046327; Diethyl carbonate LBG-23605, LBG-23601; 25821-EP2269986A1; 25821-EP2284165A1; 25821-EP2295399A2; 25821-EP2314558A1; 25821-EP2315303A1; 25821-EP2375479A1; Diethyl carbonate [UN2366] [Flammable liquid]; Diethyl carbonate [UN2366] [Flammable liquid]; Q420616; J-700155; F0001-0109; Z966690732; Diethyl carbonate, >=99%, acid <10 ppm, H2O <10 ppm; InChI=1/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H10O3",
"molecular_weight": "118.13",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7766",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001064",
"T002",
"T004"
],
"function": [
"F020103"
],
"references": [
"RC01120",
"RC01121",
"RC01122"
]
},
{
"compound_ID": "D0523",
"name": "flutolanil",
"synonyms": "FLUTOLANIL; 66332-96-5; Moncut; Folistar; Prostar; NNF-136; Flutolanil [BSI:ISO]; UNII-2USL6Y9JZ4; N-(3-Isopropoxyphenyl)-2-(trifluoromethyl)benzamide; FLUTOLUANIL; EPA Pesticide Chemical Code 128975; BRN 2163858; 2USL6Y9JZ4; alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide; N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide; N-(3-(1-Methylethoxy)phenyl)-2-(trifluoromethyl)benzamide; CHEBI:81792; PTCGDEVVHUXTMP-UHFFFAOYSA-N; NCGC00160537-04; N-[3-(1-Methylethoxy)phenyl]-2-(Trifluoromethyl)benzamide; Benzamide, N-(3-(1-methylethoxy)phenyl)-2-(trifluoromethyl)-; o-trifluoromethyl-m'-isopropoxybenzoic anilide; Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-; FTN; Maybridge1_007471; DSSTox_CID_4109; DSSTox_RID_77294; DSSTox_GSID_24109; SCHEMBL18555; CHEMBL487185; ZINC1479; DTXSID8024109; CTK8E7267; HMS562L13; HSDB 6658; PTCGDEVVHUXTMP-UHFFFAOYSA-; Tox21_400085; AKOS015902922; Flutolanil 100 microg/mL in Methanol; MCULE-9182987528; Flutolanil 10 microg/mL in Cyclohexane; Flutolanil 1000 microg/mL in Methanol; NCGC00160537-01; NCGC00160537-02; NCGC00160537-03; NCGC00160537-05; LS-27196; CAS-66332-96-5; DB-054915; TR-022463; FT-0630764; C18502; 3'-isopropoxy-2-trifloromethylbenzoic acid anilide; N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide; Q2338052; Alpha-alpha-alpha-trifluoro-3'isopropoxy-o-toluanilide; N-(3-Isopropoxyphenyl)-2-(trifluoromethyl)benzamide #; Benzamide,n-(3-(1-methylethoxy)phenyl)-2-(trifluoromethyl); N-(3-(1-methylethoxy)phenyl)-2-(trifluoromethyl)-benzamide; N-[3-(propan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide; ALPHA-ALPHA-ALPHA-TRIFLURO-3'-ISOPROPOXY-ORTHO-TOLUANILIDE; InChI=1/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22);",
"trade_name": "",
"abbrev_name": "",
"description": "benzamide; fungicide",
"molecular_formula": "C17H16F3NO2",
"molecular_weight": "323.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "47898",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01123",
"RC04933"
]
},
{
"compound_ID": "D0524",
"name": "atpenin a5",
"synonyms": "Atpenin A5; 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE; 119509-24-9; AT5; ATPENIN A5; AA5; SCHEMBL1506735; CHEMBL1081615; SCHEMBL20472249; DTXSID60152478; ZINC14262625; DB04631; LS-22198; J-004142; Q27095367; 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxypyridin-2(1H)-one;",
"trade_name": "",
"abbrev_name": "Atpenin",
"description": "antifungal antibiotic; highly specific ubiquinone-binding site inhibitor of succinate dehydrogenase; complex II inhibitor",
"molecular_formula": "C15H21Cl2NO5",
"molecular_weight": "366.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "54676868",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T002",
"T002007"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01124",
"RC01130",
"RC03573",
"RC04910"
]
}
]
}
