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{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=4",
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"results": [
{
"compound_ID": "D0207",
"name": "4'-decyl-mpp+",
"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": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01390"
]
},
{
"compound_ID": "D0209",
"name": "Nitrogen Mustard",
"synonyms": "mechlorethamine; Chlormethine; Nitrogen mustard; Chlorethazine; Mustine; Mustargen; Cloramin; Mecloretamina; 51-75-2; Caryolysine; Embichin; Bis(2-chloroethyl)methylamine; Mechloroethamine; Dichlor amine; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine; 2,2'-Dichloro-N-methyldiethylamine; Nitrogranulogen; Antimit; N-Methyl-bis(2-chloroethyl)amine; Methylbis(2-chloroethyl)amine; N-Methyl lost; N-Methyl-lost; Bis(beta-chloroethyl)methylamine; Methylbis(beta-chloroethyl)amine; Mustine note; Di(2-chloroethyl)methylamine; Methyldi(2-chloroethyl)amine; beta,beta'-Dichlorodiethyl-N-methylamine; N,N-Bis(2-chloroethyl)methylamine; Stickstofflost (ebewe); N-Methyl-bis(beta-chloroethyl)amine; Mecloretamina [Italian]; N,N-Di(chloroethyl)methylamine; HN-2; N-Methyl-lost [German]; Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-; N-Lost; Clormetina [INN-Spanish]; Nitrogen mustard (HN-2); 2,2'-Dichlorodiethyl-methylamine; NSC 762; Chlormethinum [INN-Latin]; N-Methyl-bis-chloraethylamin; N-Methyl-2,2'-dichlorodiethylamine; ENT-25294; TL 146; HN2; Chloramine (the nitrogen mustard); Chlormethine [INN:BAN]; UNII-50D9XSG0VR; MBA; Carolysine; CCRIS 447; Mebichloramine; N-Methyl-bis-chloraethylamin [German]; Embechine; T-1024; Diethylamine, 2,2'-dichloro-N-methyl-; CHEBI:28925; HSDB 5083; EINECS 200-120-5; T 1024; BRN 0605323; 50D9XSG0VR; N-METHYL-DI(2-CHLORO)-ETHYLAMINE; bis(2-chloroethyl)(methyl)amine; HAWPXGHAZFHHAD-UHFFFAOYSA-N; C5H11Cl2N; Clormetina; NSC-762; .Beta.,.beta.'-Dichlorodiethyl-N-methylamine; AB00052033_05; Valchlor; Mechlorethanamine; Me chloroethamine; Methylchlorethamine; Chlormethine (INN); Nitol (*Hydrochloride*); Mitoxine (*Hydrochloride*); Ledaga; Bis-(2-chloroethyl)methylamine; SR-05000001664; Bis(beta-chloroethyl) methylamine; Stickstofflost (*Hydrochloride*); Eraso (Salt/Mix); Nitol (Salt/Mix); Hn2 (amine); N,N-Bis(2-chloroethyl)-N-methylamine; Embichin (Salt/Mix); Dichloren (Salt/Mix); Chlormethinehydrochloride; Spectrum_000889; Caryolysin (Salt/Mix); Caryolysine (Salt/Mix); Spectrum2_000448; Spectrum3_000484; Spectrum4_000924; Spectrum5_001702; bis(chloroethyl)methylamine; CHEMBL427; Epitope ID:116224; cid_4033; SCHEMBL3861; 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine; Bis(b-chloroethyl)methylamine; BSPBio_001947; KBioGR_001448; KBioSS_001369; DivK1c_000759; SPECTRUM1500375; SPBio_000496; Methyl-bis(2-chloroethyl)amine; GTPL7218; N-methylbis(2-chloroethyl)amine; DTXSID2020975; HMS502F21; KBio1_000759; KBio2_001369; KBio2_003937; KBio2_006505; KBio3_001447; N-methyldi-(2-chloroethyl)amine; bis(2-chloro-ethyl)-methyl-amine; bis-(2-chloro-ethyl)-methylamine; NINDS_000759; BDBM200297; Bis(.beta.-chloroethyl)methylamine; HMS1920J15; HMS2091B04; Methylbis(.beta.-chloroethyl)amine; Pharmakon1600-01500375; bis-(2-chloro-ethyl)-methyl-amine; ZINC2539484; CCG-39885; NSC757087; STL484282; AKOS006229862; N-Methyl-bis(.beta.-chloroethyl)amine; DB00888; LS-7559; MCULE-6341452542; NSC-757087; IDI1_000759; NCGC00091835-02; NCGC00091835-03; NCGC00091835-04; NCGC00091835-05; NCGC00091835-06; NCGC00091835-07; NCGC00091835-08; NCGC00091835-09; N,N-Bis(2-chloroethyl)-N-methylamine #; NCI60_041682; U601; SBI-0051432.P003; A8064; C07115; D07671; 13159-EP2277876A1; 13159-EP2292614A1; 13159-EP2295426A1; 13159-EP2295427A1; 13159-EP2308833A2; 13159-EP2308861A1; 13159-EP2311825A1; 13159-EP2311842A2; 13159-EP2316834A1; 13159-EP2374454A1; 49304-EP2272827A1; 49304-EP2311840A1; AB00052033-04; 055M867; Q418011; 1, 5-Dichloro-3-methyl-3-azapentane hydrochloride; SR-05000001664-1; BRD-K12829205-001-03-0",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H11Cl2N",
"molecular_weight": "156.05",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "15 minutes",
"absorption": "Partially absorbed following intracavitary administration, most likely due to rapid deactivation by body fluids. When it is topically administered, systemic exposure was undetectable.",
"cid": "4033",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01AA05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0210",
"name": "Nitrogen Oxides",
"synonyms": "hydroxylamine; 7803-49-8; Oxammonium; Nitroxide; HYDROXYAMINE; NH2OH; Oxyammonia; hydroxyazanyl; UNII-2FP81O2L9Z; HSDB 579; Nitrogen oxide (NOx); dihydridohydroxidonitrogen; EINECS 232-259-2; 2FP81O2L9Z; CHEBI:15429; AVXURJPOCDRRFD-UHFFFAOYSA-N; Nitrogen oxides; Nitrinous acid; arninoalcohol; hyroxylamine; Hydroxylamin; amino alcohol; amino-alcohol; hydroxy amine; hydroxyl amine; hydroxyl-amine; azinous acid; N-hydroxyamine; amine N-oxide; (1) hydroxylamine; Hydroxylaminesolution; (hydroxyamino)methanol; H2NHO; H2NOH; HONH2; Lopac-H-9876; Epitope ID:117722; H2N-OH; EC 232-259-2; Lopac0_000637; [NH2OH]; N H2 O H; CHEMBL1191361; DTXSID7041043; CTK2H8929; CTK8G5726; BCP03655; KS-00000V4I; BDBM50082140; MFCD00044522; AKOS009031565; CCG-204724; Hydroxylamine (50% solution in water); MCULE-3913133443; MRF-0000034; NCGC00015527-01; NCGC00015527-02; NCGC00015527-03; NCGC00162208-01; LS-77353; LS-96747; SC-51896; DB-080981; Hydroxylamine solution, 50 wt. % in H2O; FT-0627150; C00192; Q259997; J-502073; Q27110260; Q27110261; 2FFDCFE4-66E9-4869-8F4D-DC8E410797E7; Hydroxylamine solution, 50 wt. % in H2O, 99.999%; Hydroxylamine hydrochloride in combination with isoniazid and rifampicin",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "H3NO",
"molecular_weight": "33.03",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "787",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0212",
"name": "N-Nitroso-N-Butylurea",
"synonyms": "1-Butyl-1-nitrosourea; N-Butyl-N-nitrosourea; N-Nitrosobutylurea; N-Nitroso-N-butylurea; N-Butylnitrosourea; Nitrosobutylurea; N-N-Butyl-N-nitrosourea; 869-01-2; BUTYLNITROSOUREA; Butylnitrosoharnstoff; Urea, N-butyl-N-nitroso-; Urea, 1-butyl-1-nitroso-; 1-Nitroso-1-butylurea; 1-Butyl-nitrosourea; NSC 45639; CCRIS 110; Butylnitrosoharnstoff [German]; UNII-77IB43T49K; HSDB 5121; Urea,N-butyl-N-nitroso-; BRN 1768951; 77IB43T49K; BNU; N-Nitroso-N-n-butylurea; WLN: ZVN4&NO; SCHEMBL3502037; DTXSID2020214; CTK5F7366; LSWOCDLIYSKTRX-UHFFFAOYSA-N; NSC45639; Urea, N-butyl-N-nitroso- (9CI); ZINC4804231; NSC-45639; AKOS006281479; LS-7240; 1-(Aminocarbonyl)-1-butyl-2-oxohydrazine #; FT-0690992; Q27266585",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H11N3O2",
"molecular_weight": "145.16",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13362",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0213",
"name": "NNK",
"synonyms": "64091-91-4; NNK (carcinogen); 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE; NNK; 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-; 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone; UNII-7S395EDO61; CCRIS 1150; 4-Methylnitrosoamino-1-(3-pyridinyl)-1-butanone; BRN 3548355; N-Methyl-N-nitroso-4-oxo-4-(3-pyridyl)butyl amine; 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one; CHEBI:32692; 7S395EDO61; 4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone; 4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one; Ketone, 3-pyridyl 3-(N-methyl-N-nitrosamino)propyl; 4-(Nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosoamino)-4-(3-pyridyl)-1-butanone; 64091-50-5; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-(butanone); 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one; N-methyl-N-(4-oxo-4-(pyridin-3-yl)butyl)nitrous amide; N-Methyl-N-[4-oxo-4-(pyridin-3-yl)butyl]nitrous amide; HSDB 7771; Ozone/NNK; MFCD00274580; N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide; DSSTox_CID_881; N-Nitrosonornicotine ketone; N-Nitrosonornicotine-ketone; DSSTox_GSID_20881; 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone; SCHEMBL454516; 1-Butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-; CHEMBL2311069; DTXSID3020881; CTK5C0680; FLAQQSHRLBFIEZ-UHFFFAOYSA-N; ZINC5239470; Tox21_303771; AKOS028109857; LS-1545; NCGC00163358-01; NCGC00357285-01; CAS-64091-91-4; FT-0616837; C16453; N-methyl-N-nitroso-4-oxo-4-(3-pyridyl)butylamine; 3-(N-methyl-N-nitrosamino)propyl 3-pyridyl ketone; 4-(Methyl-nitrosamino)-1-(3-Pyridyl)-1-butanone; Q6138931; 4-(N-Nitrosomethylamino)-1-(3-pyridyl )-1-butanone; 1-Butanone, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl); 4-(N-methyl-N-nitrosamino)-4-(3-pyridyl)-1-butanone; 4-(nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanon e; 4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone #; 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone, analytical standard; 17-Norcorynan,16-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-, [16(S),20b]- (9CI); 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 4-(N-NITROSO-N-METHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE (SEEALSO OZONE/NNK COMBINATION (OZONNKCOMB)); InChI=1/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H",
"trade_name": "",
"abbrev_name": "",
"description": "inorganic molecule",
"molecular_formula": "C10H13N3O2",
"molecular_weight": "207.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "47289",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0214",
"name": "Tri-O-cresyl phosphate",
"synonyms": "TRI-O-CRESYL PHOSPHATE; Tri-o-tolyl phosphate; 78-30-8; o-Tolyl phosphate; TOCP; Phosphoric acid, tris(2-methylphenyl) ester; o-Cresyl phosphate; Triorthocresyl phosphate; Phosflex 179C; TOTP; Tri-2-tolyl phosphate; Tris(o-tolyl) phosphate; Trojkrezylu fosforan; Tri-2-methylphenyl phosphate; Phosphoric acid, tri-o-tolyl ester; Tris(o-cresyl)-phosphate; o-Trikresylphosphate; Phosphoric acid, tri-o-cresyl ester; Tris(o-methylphenyl)phosphate; Tris(o-tolyl)-phosphate; NSC 438; Phosphoric Acid Tri-o-cresyl Ester; UNII-X8II18JD0A; Tri 2-methylphenyl phosphate; o-Trikresylphosphate [German]; Trojkrezylu fosforan [Polish]; CCRIS 6421; Tris(2-methylphenyl) phosphate; HSDB 4084; Phosphoric acid, tri(2-tolyl)ester; Tri-ortho-cresylphosphate; EINECS 201-103-5; BRN 1892885; X8II18JD0A; AI3-00520; Tri-o-tolyl phosphate, 96%; Tricresyl phosphate (1% or more of the ortho isomer); Tricresyl phosphate (less than 1% of the ortho isomer); tri-2-cresyl phosphate; Tofk; o-Trikesylphosphate; o-Trioyl phosphate; trio-tolyl phosphate; Triorthokresylphosphat; Tri-o-cresylPhosphate; TCP (Salt/Mix); ACMC-1BUSJ; o-Tolyl phosphate;TOCP; Reofos 65 (Salt/Mix); DSSTox_CID_12192; DSSTox_RID_78908; Fyrquel 150 (Salt/Mix); DSSTox_GSID_32192; SCHEMBL35762; Cresyl phosphate (Salt/Mix); 4-06-00-01979 (Beilstein Handbook Reference); Tritolyl phosphate (Salt/Mix); NSC438; Tricresyl phosphate (Salt/Mix); CHEMBL3181798; DTXSID6032192; BDBM82063; CTK3J3832; NSC-438; Tri-O-tolyl ester phosphoric acid; Tris(2-methylphenyl) phosphate #; YSMRWXYRXBRSND-UHFFFAOYSA-N; Phosphoric Acid Tri-o-tolyl Ester; BCP30457; ZINC1555526; Tox21_202983; ANW-19508; WLN: 1R BOPO&OR B1&OR B1; AKOS015840507; LS-1742; RTR-031717; TRA0097190; CAS-78-30-8; CAS_78-30-8; KS-000013Y5; NCGC00260676-01; AK307654; Phosphoric acid, tri-2-methylphenyl ester; Tri-o-tolyl phosphate, analytical standard; TR-031717; P1331; Y0525; W-104285; Phosphoric acid, tris(methylphenyl) ester (Salt/Mix); UNII-512641US16 component YSMRWXYRXBRSND-UHFFFAOYSA-N",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H21O4P",
"molecular_weight": "368.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6527",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0215",
"name": "Triphenyl Phosphite",
"synonyms": "TRIPHENYL PHOSPHITE; 101-02-0; Phosphorous acid, triphenyl ester; Advance TPP; Triphenoxyphosphine; Phenyl phosphite; Stabilizer P 36; Trifenoxyfosfin; Trifenylfosfit; Phosclere T 36; EFED; Mellite 310; P 36 (stabilizer); Weston TPP; Sumilizer TPP-R; Sumilizer TTP-R; TPP (plasticizer); ADK Stab TPP; Phosphorous Acid Triphenyl Ester; Tris(phenoxy)phosphine; TP 1 (plasticizer); Trifenylfosfit [Czech]; Trifenoxyfosfin [Czech]; P 36; triphenylphosphite; TPP (VAN); UNII-9P45GRD24X; JP 360; NSC 43789; CCRIS 4890; HSDB 2571; EINECS 202-908-4; BRN 1079456; Phenyl phosphite, (PhO)3P; Advancetpp; AI3-07866; 9P45GRD24X; DTXSID0026252; HVLLSGMXQDNUAL-UHFFFAOYSA-N; DSSTox_CID_6252; Phenyl phosphite ((C6H5O)3P) (6CI,7CI); Triphenyl phosphite, 99%; WLN: ROPOR & OR; DSSTox_RID_78075; DSSTox_GSID_26252; CAS-101-02-0; C18H15O3P; Lankromark LE65; triphelyn phosphite; Doverphos 10; Weston EGTPP; Doverphos 10-HR; PubChem18696; Phosphorous acid triphenyl; (PhO)3P; ACMC-2097tu; P(OPh)3; Triphenyl phosphite, 97%; EC 202-908-4; NCIOpen2_007800; SCHEMBL13289; KSC108A5P; CHEMBL1875503; P(OC6H5)3; Phenyl phosphite ((C6H5O)3P); NSC43789; NSC62219; ZINC2504359; Tox21_202034; Tox21_300002; ANW-14416; LS-324; MFCD00003032; NSC-43789; NSC-62219; AKOS015902569; NE10254; RTR-000300; NCGC00091577-01; NCGC00091577-02; NCGC00091577-03; NCGC00091577-04; NCGC00254028-01; NCGC00259583-01; BP-21353; M995; SC-22578; ST2414033; TR-000300; FT-0689185; KS-00000156; Triphenyl phosphite, purum, >=97.0% (HPLC); Q222290; F0001-0051; InChI=1/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H15O3P",
"molecular_weight": "310.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7540",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0216",
"name": "Parathion",
"synonyms": "parathion; ethyl parathion; Thiophos; alkron; phosphostigmine; Paraphos; Parathion-ethyl; 56-38-2; corothion; corthione; danthion; fosfive; fosova; gearphos; genithion; kolphos; kypthion; lirothion; murfos; nourithion; oleoparaphene; oleoparathion; panthion; parathene; pethion; phosphemol; phosphenol; rhodiasol; stathion; strathion; tiofos; vapophos; vitrex; Aphamite; Fosferno; Orthophos; Rhodiatox; Alleron; Etilon; Folidol; Fostox; Paramar; Parawet; Phoskil; super rodiatox; Aralo; Niran; folidol oil; pestox plus; penncap e; ekatox; selephos; soprathion; thiomex; lethalaire g-54; Paradust; oleofos 20; Pacol; paramar 50; bladan f; Diethyl parathion; thiophos 3422; DNTP; ecatox; fosfex; fostern; Nitrostigmine; Sulphos; Thiofos; Bladan; folidol e605; drexel parathion 8E; american cyanamid 3422; AATP; Folidol E; niuif-100; bayer e-605; ethlon; fosfermo; nitrostygmine; parthion; rhodiatrox; Etylparation; diethylparathion; diethyl p-nitrophenyl thiophosphate; Parathion ethyl; stabilized ethyl parathion; e 605 forte; bay e-605; diethyl p-nitrophenyl thionophosphate; sulfos; Ecatox 20; Ethylparathion; Nitrostigmin; Durathion; Foliclal; Soprothion; Bladen; diethyl 4-nitrophenyl phosphorothionate; Niran E-4; Viran; Parathion-aethyl; Parathion-E; folidol e & e 605; diethyl para-nitrophenol thiophosphate; OMS 19; TOX 47; ac 3422; Aqua 9-Parathion; Parathion 20 wp; O,O-diethyl O-p-nitrophenyl phosphorothioate; Rcra waste number P089; Fosferno 50; Thionspray No.84; compound 3422; Ekatox 20; NCI-C00226; T-47; ekatin wf & wf ulv; Etylparation [Czech]; Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester; Caswell No. 637; Nitrostigmin [German]; O,O-diethyl-O-(p-nitrophenyl)thionophosphate; Diethyl p-nitrophenyl phosphorothionate; Parathion [BSI:ISO]; E 605 F; Ethyl parathion 50 EC; O,O-diethyl O-(4-nitrophenyl) phosphorothioate; Parathion-aethyl [German]; acc 3422; E 605; O,O-Diethyl O-(4-nitrophenyl) thiophosphate; CCRIS 493; O,O-Diethyl O-(p-nitrophenyl) thionophosphate; O,O-Diethyl O-(p-nitrophenyl) phosphorothioate; ENT 15,108; Diethyl O-p-nitrophenyl phosphorothioate; HSDB 197; Folidol E-605; EPA Shaughnessy Code: 057501; UNII-61G466064D; p-Nitrophenyl diethyl thiophosphate; sixty-three special e.c; Sixty-three special EC insecticide; E-605; O,O-Dietyl-O-p-nitrofenyltiofosfat; NSC 8933; O,O-Dietil-O-(4-nitro-fenil)-monotiofosfato; EINECS 200-271-7; NA1967; O,O-Diethyl-O-(4-nitrophenyl) phosphorothioate; diethyl-p-nitrophenyl monothiophosphate; O,O-diaethyl-O-(4-nitro-phenyl)-monothiophosphat; RCRA waste no. P089; EPA Pesticide Chemical Code 057501; BRN 2059093; NIUIF 100; O,O-Diethyl O-p-nitrophenyl thiophosphate; O,O-Diethyl O-4-nitrophenyl thiophosphate; O,O-Diethyl-O-p-nitrofenylester kyseliny thiofosforecne; Thiophosphate de O,O-diethyle et de O-(4-nitrophenyle); AI3-15108; O,O-Diethyl O-p-nitrophenylphosphorothioate; deoxynucleoside 5'-triphosphate; O,O-Dietyl-O-p-nitrofenyltiofosfat [Czech]; Phenol, p-nitro-, O-ester with O,O-diethylphosphorothioate; B 404; O,O-Diethyl O-(p-nitrophenyl) thiophosphate; CHEBI:27928; Dietil tiofosfato de p-nitrofenila [Portuguese]; LCCNCVORNKJIRZ-UHFFFAOYSA-N; p-nitrophenol O-ester with O,O-diethylphosphorothioate; AAT; O,O-Diethyl-O-(4-nitro-fenil)-monothiofosfaat [Dutch]; O,O-Dietil-O-(4-nitro-fenil)-monotiofosfato [Italian]; Phosphorothioic acid O,O-diethyl-O-(4-nitrophenyl) ester; Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester; O,O-Diaethyl-O-(4-nitro-phenyl)-monothiophosphat [German]; Phenol, p-nitro-, O-ester with O,O-diethyl phosphorothioate; O,O-Diethyl-O-p-nitrofenylester kyseliny thiofosforecne [Czech]; Thiophosphate de O,O-diethyle et de O-(4-nitrophenyle) [French]; 61G466064D; DSSTox_CID_1100; O,O-diethyl-O-(4-nitro-fenil)monothiofosfaat; DSSTox_RID_75940; DSSTox_GSID_21100; W-105522; Ethyl parathion (O,O-diethyl-O-p-nitrophenylthiophosphate); CAS-56-38-2; AAT [Pesticide]; diethoxy-(4-nitrophenoxy)-sulfanylidene-?^{5}-phosphane; Oleoparathene; Corthion; Murphos; Galpar; C10H14NO5PS; ph osphenol; li rothion; sul fos; Parathion A; Parathion mixture; Aral o; Parathion, liquid; Dietil tiofosfato de p-nitrofenila; Parathion and compressed gas mixture; folidol e e 605; O,O-Diethyl-O-(4-nitro-fenil)-monothiofosfaat; Thiophos parathion 4 E.C.; SCHEMBL26857; 4-06-00-01337 (Beilstein Handbook Reference); MLS002174322; BIDD:ER0538; Parathion, analytical standard; CHEMBL261919; S.N.P.; WLN: WNR DOPS&O2&O2; DTXSID7021100; NSC8933; Parathion [NA2783] [Poison]; Parathion [NA2783] [Poison]; BCP09200; NSC-8933; Tox21_202005; Tox21_300663; E 605F; ENT 15108; Diethyl 4-nitrophenyl phosphorothioate; Sixty-three special E.C. insecticide; AKOS015903450; diethyl p-nitrophenyl monothiophosphate; LS-1375; Parathion 1000 microg/mL in Methanol; diethyl p-nitroph enyl monothiophosphate; NCGC00090852-01; NCGC00090852-02; NCGC00090852-03; NCGC00090852-04; NCGC00090852-05; NCGC00254571-01; NCGC00259554-01; O,O-diethyl-O-p-nitrophenylthiophosphate; SMR000778037; U505; Diethyl O-p-nitrophenyl phosphorothioic acid; o,o-diethyl o-4-nitrophenyl phosphorothioate; Parathion-ethyl 10 microg/mL in Cyclohexane; 0,0-Diethyl 0-(p-nitrophenyl) thiophosphate; Parathion, PESTANAL(R), analytical standard; Parathion-ethyl 10 microg/mL in Acetonitrile; Parathion-ethyl 100 microg/mL in Cyclohexane; C06604; Parathion-ethyl 100 microg/mL in Acetonitrile; 0,0-Diethyl 0-(p-nitrophenyl) phosphorothioate; O,O-diethyl O-p-nitrophenyl phosphorothioic acid; 036P219; C-51993; O,O-diethyl O-p-nitrophenyl phosphorothioate; Phenol, 0-ester with 0,0-diethyl phosphorothioate; Q412556; ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite; Phosphorothioic acid,O-diethyl O-(p-nitrophenyl) ester; p- nitrophenol O-ester with O,O-diethylphosphorothioate; p-nitrophenol O-ester with O,O-diethylphosphorothioic acid; Parathion and compressed gas mixture [NA1967] [Poison gas]; Parathion and compressed gas mixture [NA1967] [Poison gas]; PHOSPHOROTHIOIC ACID,O-DIETHYL O-(4-NITROPHENYL) ESTER; Parathion solution, 100 mug/mL in cyclohexane, PESTANAL(R), analytical standard",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H14NO5PS",
"molecular_weight": "291.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "991",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0217",
"name": "Ozone",
"synonyms": "OZONE; Triatomic oxygen; 10028-15-6; Ozon; Ozone heavy work; Ozon [Polish]; Oxygen, mol (O3); Ozone light work; UNII-66H7ZZK23N; Ozone moderate work; CCRIS 4503; HSDB 717; EINECS 233-069-2; trioxid-2-en-2-ium-1-ide; 66H7ZZK23N; CHEBI:25812; O3; Ozone heavy, moderate, or light workloads (<2 hours); Trisauerstoff; CHEMBL2447938; DTXSID0021098; CTK0H5519; CBENFWSGALASAD-UHFFFAOYSA-N; [OO2]; 1,3-Dioxa-2-oxoniapropene-3-ide; LS-316; DB12510; Q36933",
"trade_name": "",
"abbrev_name": "O3, trioxygen",
"description": "inorganic molecule",
"molecular_formula": "O3",
"molecular_weight": "47.998",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "24823",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0308"
],
"references": [
"RC03698",
"RC03699"
]
},
{
"compound_ID": "D0218",
"name": "diquat",
"synonyms": "DIQUAT; Diquat dication; 2764-72-9; Diquat ion; 1,1'-Ethylene-2,2'-bipyridylium ion; 1,1'-Ethylene-2,2'-bipyridyldylium ion; 9,10-Dihydro-8a,10a-diazoniaphenanthrene; Diquat [ANSI:BSI:ISO]; UNII-A9A615U4MP; EINECS 220-433-0; 6,7-Dihydrodipyrido[1,2-A:2',1'-C]pyrazinediylium; Dipyrido(1,2-a:2',1'-c)pyrazinediium, 6,7-dihydro-; A9A615U4MP; CHEBI:64163; 9,10-Dihydro-8a,10a-diazoniaphenanthrene ion; 6,7-Dihydrodipyrido(1,2-a:2',1'-c)pyrazinediium; 6,7-Dihydrodipyrido(1,2-a:2',1'-c)pyrazine-5,8-di-ium; 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium; 6,7-Dihydrodipyrido(1,2-a:2',1'-c)pyrazinediylium; Dipyrido[1,2-a:2',1'-c]pyrazinediium, 6,7-dihydro-; SCHEMBL52885; CHEMBL1625720; DTXSID6034554; ZINC43472; Dipyrido(1,2-a:2',1'-c)pyrazinediium, 6,7-dihydro- (8CI)(9CI); C12H12N2+2; MCULE-1928612410; NCGC00163714-02; NCGC00163714-03; 231-36-7; LS-62969; P596; C18577; 764D729; Q2285491; W-109136; Dipyrido(1,2-a:2',1'-c)pyrazinediium, 6,7-dihydro- (8CI)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H12N2+2",
"molecular_weight": "184.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6795",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02010203",
"F02010204",
"F02010207"
],
"references": [
"RC01334",
"RC01335",
"RC01336",
"RC01337",
"RC01338",
"RC01339"
]
},
{
"compound_ID": "D0219",
"name": "Paraquat",
"synonyms": "Paraquat dichloride; Methyl viologen; 1910-42-5; Pathclear; Crisquat; Gramuron; Pillarxone; Dexuron; Esgram; Methyl viologen dichloride; Toxer total; 1,1'-Dimethyl-4,4'-bipyridinium dichloride; Ortho paraquat cl; Paraquat-dichloride; Gramixel; Gramoxone; Cekuquat; Galokson; Herbaxon; Herboxone; Pillarquat; Gramoxone D; Viologen, methyl-; Parakwat [Polish]; 4,4'-Dimethyldipyridyl dichloride; Goldquat 276; Paraquat cl; Gramoxone S; Gramoxone W; Caswell No. 634; Methylviologen chloride; Gramoxone dichloride; Dimethyl viologen chloride; Paraquat, dichloride; N,N'-Dimethyl-4,4'-bipyridinium dichloride; N,N'-Dimethyl-4,4'-bipyridylium dichloride; 1,1'-Dimethyl-4,4'-dipyridylium dichloride; UNII-2KZ83GSS73; Parakwat; 4,4'-Bipyridinium, 1,1'-dimethyl-, dichloride; CCRIS 9018; Methyl viologen (reduced); Paraquat chloride; EINECS 217-615-7; AH 501; NSC 88126; OK 622; EPA Pesticide Chemical Code 061601; NSC 263500; 1,1-Dimethyl-4,4-dipyridilium dichloride; AI3-61943; 2KZ83GSS73; 1,1'-Dimethyl-4,4'-bipyridynium dichloride; N,N'-Dimethyl-4,4'-dipyridylium dichloride; CHEBI:28786; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride; Bipyridinium, 1,1'-dimethyl-4,4'-, dichloride; 1,1'-Dimethyl-4,4'-dipyridinium-dichlorid [German]; Dwuchlorek 1,1'-dwumetylo-4,4'-dwupirydyniowy [Polish]; Methyl Viologen hydrate, 98%; 1,1'-Dimethyl-4,4'-dipyridinium-dichlorid; 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium dichloride; 1,1'-dimethyl-[4,4'-bipyridine]-1,1'-diium dichloride; Dwuchlorek 1,1'-dwumetylo-4,4'-dwupirydyniowy; 1,1'-Dimethyl-4,4'-bipyridinium dichloride trihydrate; 1,1'-dimethyl-4,4'-bipyridine-1,1'-diium chloride; Paraquat dichloride [ISO]; methylviologen; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride; AC-907/25005209; 1,1'-dimethyl-4,4' bipyridinium dichloride; SCHEMBL21653; CHEMBL458019; GTPL4552; DTXSID7024243; FIKAKWIAUPDISJ-UHFFFAOYSA-L; LS-961; AKOS001071567; MCULE-7000160142; AS-57157; P864; Paraquat dichloride 10 microg/mL in Water; Paraquat dichloride 100 microg/mL in Water; D3685; FT-0652363; C00225; Q409669; J-012343; Z89271816; 1,1'-Dimethyl-[4,4'-bipyridine]-1,1'-diium chloride; 1,1-Dimethyl-4,4-bipyridinium Dichloride, inverted exclamation markY 98.0%",
"trade_name": "Methyl Viologen",
"abbrev_name": "PQ",
"description": "viologen (a family of redox-active heterocycles of similar structure); herbicides",
"molecular_formula": "C12H14Cl2N2",
"molecular_weight": "257.16",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15938",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T004",
"T387001",
"T387002"
],
"function": [
"F010101",
"F0105",
"F020103",
"F020603",
"F0303",
"F05",
"F0504",
"F0602"
],
"references": [
"RC00744",
"RC00745",
"RC00746",
"RC00747",
"RC00748",
"RC00749",
"RC00750",
"RC00751",
"RC00752",
"RC00753",
"RC00754",
"RC00755",
"RC00756",
"RC00757",
"RC00940",
"RC01062",
"RC01063",
"RC01064",
"RC01081",
"RC01098",
"RC03649",
"RC03650",
"RC03651"
]
},
{
"compound_ID": "D0220",
"name": "TBT",
"synonyms": "Tributylstannylium; Stannylium, tributyl-; 36643-28-4; Tributyltin cation; Tributyltin ion; n-Tributyltin ion; Tri-n-butyltin (TBT); Tin(1+), tributyl-, ion; DTXSID9075030",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H27Sn+",
"molecular_weight": "290.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "37499",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02010203",
"F02010204",
"F02010207"
],
"references": [
"RC01340",
"RC01341",
"RC01342",
"RC01343"
]
},
{
"compound_ID": "D0221",
"name": "Deguelin",
"synonyms": "Deguelin; 522-17-8; (-)-Deguelin; (-)-cis-deguelin; DEGUELIN(-); UNII-K5Z93K66IE; CHEBI:4357; K5Z93K66IE; ORDAZKGHSNRHTD-UXHICEINSA-N; (7as,13as)-13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-3h-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7ah)-one; SR-01000597503; CCRIS 8104; Deguelin/; (-)-Deguelin, Mundulea sericea; Spectrum_001044; Tocris-1770; Spectrum2_000298; Spectrum3_001122; Spectrum4_001965; Spectrum5_001852; SCHEMBL73183; BSPBio_002583; KBioGR_002434; KBioSS_001524; SPECTRUM201138; MLS006010295; SPBio_000236; CHEMBL393417; KBio2_001524; KBio2_004092; KBio2_006660; KBio3_002083; DTXSID10200231; HMS1923A05; HMS3268E12; 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-; 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)-; ZINC3978987; 1702AH; ABP000411; CCG-39856; LMPK12060019; MFCD01740600; s8132; AKOS024456769; ACN-053693; BCP9000596; CS-1802; SDCCGMLS-0066380.P001; NCGC00025288-01; NCGC00025288-02; NCGC00025288-03; (-)-Deguelin, >98% (HPLC), powder; 4CN-1289; AS-56004; HY-13425; SMR004701363; C10417; Q5251862; SR-01000597503-1; SR-01000597503-3; SR-01000597503-4; BRD-K61401890-001-02-0; BRD-K61401890-001-03-8; BRD-K61401890-001-04-6; (7aS,13aS)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H,7aH-pyrano[2,3-c;6,5-f']dichromen-7-one; 13,13aS-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-[1]benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aS)-one; 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-",
"trade_name": "",
"abbrev_name": "",
"description": "member of rotenoids; insecticide and piscicide; Complex I inhibitor; anticancer candidate drug",
"molecular_formula": "C23H22O6",
"molecular_weight": "394.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "107935",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01346",
"RC03437",
"RC04924"
]
},
{
"compound_ID": "D0222",
"name": "PCBs",
"synonyms": "3,3',4,4',5,5'-Hexachlorobiphenyl; 32774-16-6; PCB 169; 3,4,5,3',4',5'-HEXACHLOROBIPHENYL; HSDB 3948; UNII-T2P1WH546D; 1,1'-Biphenyl, 3,3',4,4',5,5'-hexachloro-; PCB-169; Biphenyl, 3,3',4,4',5,5'-hexachloro-; 3,3',4,4',5,5'-Hexachloro-1,1'-biphenyl; BRN 1990183; T2P1WH546D; 1336-36-3; CHEBI:81517; 3,4,5,3',4',5'-Hexa coplanar polychlorinated biphenyl; 1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene; PCB 169 (3,3',4,4',5,5'-Hexachlorobiphenyl); PCB169; 1,1'-Biphenyl, chloro derivs.; Polychlorinated biphenyls (PCBs); 3-05-00-01742 (Beilstein Handbook Reference); CHEMBL14658; PCB No. 169; SCHEMBL2906064; DTXSID2038314; CTK4G9260; ZHLICBPIXDOFFG-UHFFFAOYSA-N; ZINC2521572; 3,4,5,3',4',5'-Hexachloro-biphenyl; LS-44407; PCB No. 169 10 microg/mL in Isooctane; C18115; 1,1'-Biphenyl,3,3',4,4',5,5'-hexachloro-; 3,4,5,3',4',5'-Hexachloro-biphenyl(345HCB); Q22137042; 1,1'-Biphenyl, 3,3',4,4',5,5'-hexachloro- (9CI); UNII-416O992G98 component ZHLICBPIXDOFFG-UHFFFAOYSA-N",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H4Cl6",
"molecular_weight": "360.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "36231",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0223",
"name": "Pentachlorophenol",
"synonyms": "pentachlorophenol; 87-86-5; Chlorophen; Lauxtol; 2,3,4,5,6-Pentachlorophenol; Permite; Pentachlorophenate; Dowicide 7; Fungifen; Liroprem; Penchlorol; Pentacon; Permacide; Permagard; Permasan; Santophen; Sinituho; Durotox; Penwar; Peratox; Glazd penta; Grundier arbezol; Penta-Kil; Term-i-trol; Chem-Tol; PENTA; Phenol, pentachloro-; Santophen 20; Preventol P; Thompson's wood fix; PCP (pesticide); Chlon; Pentachlorofenol; Pentachlorphenol; Permatox penta; Lauxtol A; Dowicide EC-7; Santobrite; Pentaclorofenolo; Penta ready; Penta wr; Woodtreat A; Chem-Penta; Witophen P; Dura Treet II; Pol Nu; Permatox DP-2; Priltox; Pentachloorfenol; Penta Concentrate; Pentachlorophenol, dp-2; Pole topper fluid; Dowcide 7; Rcra waste number U242; 1-Hydroxypentachlorobenzene; NCI-C54933; NCI-C55378; Ontrack WE Herbicide; Caswell No. 641; Weed and Brush Killer; EP 30 (pesticide); Osmoplastic; Forepen; Permatox; cryptogil oil; Dowicide 7 Antimicrobial; Pentachloorfenol [Dutch]; Dow pentachlorophenol DP-2 antimicrobial; Pentachlorphenol [German]; UNII-D9BSU0SE4T; Dura-Treet; EP 30; NCI-C56655; 1-Hydroxy-2,3,4,5,6-pentachlorobenzene; Pentachlorophenol, purified; Pentaclorofenolo [Italian]; pentachloro-Phenol; Watershed Wood Preservative; Pentachlorophenol, technical; Forpen-50 Wood Preservative; Pentachlorophenol [BSI:ISO]; Pol-NU; CCRIS 1663; HSDB 894; Osmose Wood Preserving Compound; Pentachlorophenol pure; Pentachlorophenol, dowicide ec-7; AD 73; EINECS 201-778-6; Ortho Triox Liquid Vegetation Killer; CM 613; MB 333; Phenol, 2,3,4,5,6-pentachloro-; UN3155; D9BSU0SE4T; RCRA waste no. U242; EPA Pesticide Chemical Code 063001; NSC 263497; CP 1309; BRN 1285380; Oz-88; AI3-00134; CHEBI:17642; IZUPBVBPLAPZRR-UHFFFAOYSA-N; 2,3,4,5,6-Pentachlorophenol (Dowicide EC-7); NSC40792; Pentachloorfenol (DUTCH); DSSTox_CID_1106; Pentachlorphenol (GERMAN); 2,3,4,5,6-Pentachlorophenol, technical grade; Pentaclorofenolo (ITALIAN); DSSTox_RID_75945; DSSTox_GSID_21106; Pentachlorophenol [Polychlorophenols and their sodium salts]; Pentachlorophenol, analytical standard; CAS-87-86-5; SMR000471858; Pentachlorophenol (PCP); Perchlorophenol; Satophen; Acutox; lauxt ol; 4rpn; Chlorophenasic acid; PKhF; Pkhfn (Salt/Mix); Penton 70; pentachlorophenol dp-2; Spectrum_001893; 1y4z; Santobrite (Salt/Mix); SpecPlus_000514; Pentachlorophenol, 97%; Dowicide G (Salt/Mix); Spectrum2_001870; Spectrum3_000847; Spectrum4_000687; Spectrum5_002010; Preventol PN (Salt/Mix); bmse000697; Phenol, pentachloro-, pure; SCHEMBL1492; 2,4,5,6-Pentachlorophenol; BSPBio_002433; KBioGR_001153; KBioSS_002423; SPECTRUM330056; MLS001066359; MLS002454435; pentachlorophenol,penta,pcp,penchlorol,santophen 20; BIDD:ER0651; CHEMBL75967; DivK1c_006610; SPBio_001720; SGCUT00104; DTXSID7021106; BDBM92749; KBio1_001554; KBio2_002417; KBio2_004985; KBio2_007553; KBio3_001933; WLN: QR BG CG DG EG FG; 2, 3,4,5,6-Pentachlorophenol; 2,3,4,5,6-Pentachloro-Phenol; HMS2232I10; HMS3373L22; LS-14; NCI-C55389; to_000075; ZINC1529471; Tox21_202131; Tox21_300023; 3998AC; CCG-39355; NSC263497; AKOS001075639; MCULE-1979998413; NSC-263497; Pentachlorophenol [UN3155] [Poison]; 1-Hydroxy-2,4,5,6-pentachlorobenzene; QTL1_000066; NCGC00091143-01; NCGC00091143-02; NCGC00091143-03; NCGC00091143-04; NCGC00091143-05; NCGC00091143-06; NCGC00091143-07; NCGC00253977-01; NCGC00259680-01; Pentachlorophenol [UN3155] [Poison]; AC-11105; NCI60_003902; Pentachlorophenol 10 microg/mL in Methanol; TR-027615; FT-0673580; P0033; Pentachlorophenol 100 microg/mL in Methanol; EN300-18735; Pentachlorophenol 10 microg/mL in Cyclohexane; Pentachlorophenol 1000 microg/mL in Methanol; 2646-EP2298313A1; C02575; Pentachlorophenol 10 microg/mL in Acetonitrile; 33410-EP2275404A1; 33410-EP2305662A1; 33410-EP2311815A1; 2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0); Q423922; W-104003; BRD-K50711164-001-02-4; BRD-K50711164-001-07-3; Z90121614; UNII-AZ1041M258 component IZUPBVBPLAPZRR-UHFFFAOYSA-N; InChI=1/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12; TRANSGENIC LECM (PENTACHLOROPHENOL) (SEE ALSOPENTACHLOROPHENOL); Pentachlorophenol solution, 100 mug/mL in methanol, PESTANAL(R), analytical standard; Pentachlorophenol solution, certified reference material, 500 mug/mL in methanol; Pentachlorophenol solution, certified reference material, 5000 mug/mL in methanol",
"trade_name": "",
"abbrev_name": "PCP",
"description": "uncoupler",
"molecular_formula": "C6HCl5O",
"molecular_weight": "266.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "992",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F0108"
],
"references": [
"RC02065",
"RC02686",
"RC03307",
"RC03717"
]
},
{
"compound_ID": "D0224",
"name": "Ubicidin-3",
"synonyms": "Ubicidin; 60945-21-3; Ubicidins; Ubicidin 1; Ubicidin 2; Ubicidin 3; Ubicidin 4; Ubicidin 10; DTXSID40209772; 4-Pyridinol, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H19NO3",
"molecular_weight": "237.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6454090",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01350"
]
},
{
"compound_ID": "D0225",
"name": "Peroxynitrite",
"synonyms": "peroxynitrite ion; 19059-14-4; Peroxynitrite (8CI,9CI); Oxoperoxonitrate(1-); Peroxonitrous acid anion; ONOO-; oxidoperoxidonitrate(1-); Peroxynitrosyl (NO3) (6CI); CHEBI:25941; CTK0H5961; DTXSID10172540; CMFNMSMUKZHDEY-UHFFFAOYSA-M; [NO(OO)](-); LS-102485; C16845; Q419130",
"trade_name": "",
"abbrev_name": "",
"description": "ONOO⁻; potent biological oxidant produced by the near diffusion-limited reaction of superoxide and nitric oxide;",
"molecular_formula": "NO3-",
"molecular_weight": "62.005",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "104806",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T002",
"T005",
"T019"
],
"function": [],
"references": [
"RC03918",
"RC03919",
"RC03920",
"RC03921"
]
},
{
"compound_ID": "D0226",
"name": "Perfluorooctanoic acid",
"synonyms": "PERFLUOROOCTANOIC ACID; Pentadecafluorooctanoic acid; 335-67-1; PFOA; Perfluorocaprylic acid; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid; Octanoic acid, pentadecafluoro-; Perfluoroctanoic acid; Perfluoroheptanecarboxylic acid; Pentadecafluoro-1-octanoic acid; Pentadecafluoro-n-octanoic acid; Perfluoro-n-octanoic acid; IPC-PFFA-8 HG; NSC 95114; UNII-947VD76D3L; CCRIS 4386; HSDB 7137; n-perfluorooctanoic acid; EINECS 206-397-9; IPC-PFFA-8; BRN 1809678; AI3-19341; CHEBI:35549; Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-; SNGREZUHAYWORS-UHFFFAOYSA-N; 947VD76D3L; Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-; Pentadecafluorooctanoic acid, 96%; 335-93-3; C8HF15O2; 8PF; Pentadecafluorooctanoicacid; ACMC-1CN9C; C7F15COOH; perfluorooctylcarboxylic acid; DSSTox_CID_11865; DSSTox_RID_78895; DSSTox_GSID_31865; SCHEMBL22556; Perfluorooctanoic acid, 96%; Fluorad FC-26 (Salt/Mix); CHEMBL172988; DTXSID8031865; CTK1C2449; Perfluorooctanoic Acid High Grade; CS-B0915; KS-00000VX0; NSC95114; ZINC6844606; Tox21_300688; MFCD00004174; NSC-95114; AKOS005259894; LS-1215; LS40741; MCULE-1103416295; Pentadecafluorooctanoic Acid High Grade; RTR-014034; TRA0098108; NCGC00164448-01; NCGC00164448-02; NCGC00164448-03; NCGC00254596-01; AK161799; AS-15245; CAS-335-67-1; O617; SC-13661; DB-048447; TR-014034; FT-0631976; P0764; ST24038407; Pentadecafluorooctanoic acid, analytical grade; K-7733; 97812-EP2305685A1; 97812-EP2305686A1; Pentadecafluorooctanoic acid, analytical standard; Q418348; W-106771; Perfluorooctanoic acid 100 microg/mL in Acetonitrile; Z1270326259; Hexanoyl fluoride,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-Octanoic Acid; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid #; Pentadecafluorooctanoic acid solution, 100 mug/mL in methanol, analytical standard",
"trade_name": "",
"abbrev_name": "PFOA, C8, FC-143, PFO",
"description": "a perfluorinated carboxylic acid; industrial surfactant",
"molecular_formula": "C8HF15O2",
"molecular_weight": "414.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9554",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0308"
],
"references": [
"RC03705"
]
},
{
"compound_ID": "D0227",
"name": "PFOS",
"synonyms": "Perfluorooctanesulfonic acid; 1763-23-1; PFOS; Perfluorooctane sulfonic acid; Perfluorooctane sulfonate; Perfluorooctylsulfonic acid; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid; Heptadecafluorooctanesulfonic acid; Heptadecafluoro-1-octanesulfonic acid; 1-Perfluorooctanesulfonic acid; Eftop EF 101; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid; UNII-9H2MAI21CL; C8HF17O3S; HSDB 7099; heptadecafluorooctane sulphonic acid; EINECS 217-179-8; EF 101; Heptadecafluorooctane-1-sulphonic acid; 9H2MAI21CL; 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-; CHEBI:39421; NCGC00164449-04; Fluorad FC 95; Floral FC 95; FC 95; NSC18405; Potassium heptadecafluorooctane-1-sulfonate; Perfluorooctanesulfonic acid, potassium salt; perfluoro-octylsulphonic acid; perfluorooctane sulphonic acid; Heptadecafluorooctanesulfonic acid, potassium salt; heptadecafluorooctane sulfonic acid; nPFOS; P8S; heptadecafluoro-1-octane sulfonic acid; perfluorooctane-sulfonic acid; DSSTox_CID_11864; DSSTox_RID_78894; DSSTox_GSID_31864; SCHEMBL24140; C8F17SO3H; perfluoro-1-octanesulfonic acid; perfluorooctane-1-sulfonic acid; CHEMBL1876554; DTXSID3031864; perfluoro-n-octane sulfonic acid; CTK3J2578; YFSUTJLHUFNCNZ-UHFFFAOYSA-N; 4021-47-0(as Na salt); ACT03388; CS-B0918; Floral FC 95 (*potassium salt*); Fluorad FC 95 (*potassium salt*); Tox21_400083; 9245AA; ZINC38141428; AKOS016010567; NCGC00164449-01; NCGC00164449-02; NCGC00164449-03; NCGC00164449-05; LS-97932; CAS-1763-23-1; AB1011087; RT-000775; C18142; 97808-EP2305685A1; 97808-EP2305686A1; A812173; C-47591; Q902094; J-011181; Perfluorooctane sulfonic acid 100 microg/mL in Methanol; Heptadecafluorooctanesulfonic acid solution, ~40% in H2O (T); 1,1,2,2,3,3,4, 4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonic acid; Heptadecafluorooctanesulfonic acid solution, 100 mug/mL in methanol, analytical standard; 1,1,2,2,3,3,4, 4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt; 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7, 7,8,8,8-heptadecafluoro-, potassium salt",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8HF17O3S",
"molecular_weight": "500.13",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "74483",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0228",
"name": "PhIP",
"synonyms": "PhIP; 105650-23-5; 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine; 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine; 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine; UNII-909C6UN66T; CHEBI:76290; 909C6UN66T; 1-Methyl-6-phenyl-1H-imidazo(4,5-b)pyridin-2-amine; PIQ; 1H-Imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl- (9CI); CCRIS 2954; HSDB 7768; BRN 5951264; ACMC-1BRGI; (3H)PhIP; SCHEMBL151718; CHEMBL1213271; DTXSID3037628; CTK0I0185; 1H-Imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenyl-; OR1700T; UQVKZNNCIHJZLS-UHFFFAOYSA-N; 2-AMINO-1-METHYL-6-PHENYL-IMIDAZO [4,5-b] PYRIDINE; ZINC1850101; ZX-AT000044; AKOS022175457; DB08398; RTX-011298; AK-26709; CC-08624; LS-80167; AX8014630; DB-040643; LS-194103; FT-0611009; C16038; 2-Amino-1methyl-6-phenylimidazo [4,5-b]pyridine; C-12661; 2-Amino-1-methyl-6-phenyl-Imidazo(4,5-b)pyridine; J-507739; Q4596855; 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amin; 2-amino-1-methyl-6-phenyl-1h-imidazo[4,5-b]pyridine; Imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenyl-; 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine, 9CI; 2-AMINO-1-METHYL-6- PHENYLIMIDAZO[4,5- B]PYRIDINE; 2-Amino-1-methyl-6-phenylimidazo [4,5-b]pyridine (PhIP); 2-Amino-1methyl-6-phenylimidazo [4,5-b]pyridine (PhIP); 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE (PHIP); 1H-Imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl-, labeled with tritium; 138370-35-1",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H12N4",
"molecular_weight": "224.26",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1530",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0229",
"name": "Rotenone",
"synonyms": "rotenone; 83-79-4; Dactinol; Paraderil; Barbasco; (-)-Rotenone; Tubatoxin; (-)-cis-Rotenone; Derrin; Derris; Rotenon; Cube root; Nicouline; Rotocide; Noxfish; Ronone; Canex; Deril; Liquid Derris; Cube-Pulver; Dri-Kil; Rotessenol; Noxfire; Rotefive; Rotefour; Rotenox; Cubor; Extrax; Haiari; Mexide; Cube extract; Derris root; Powder and root; Chem-Mite; Pro-nox fish; Fish-Tox; Cenol garden dust; Curex flea duster; Prenfish; Gerane; Prentox; Ro-Ko; Synpren; Derris (insecticide); Chem fish; Pb-nox; Rotenox 5EC; 5'-beta-Rotenone; Green Cross Warble Powder; Chem-Fish Synergized; Prentox Synpren-Fish; Tubotoxin; Nekoe; Caswell No. 725; Foliafume E.C.; ENT 133; Rotenona [Spanish]; Rotenone, commercial; CCRIS 895; Rotenone [BSI:ISO]; HSDB 1762; NCI-C55210; 5'beta-Rotenone; EPA Pesticide Chemical Code 071003; UNII-03L9OT429T; AI3-00133; NSC26258; EINECS 201-501-9; NSC 26258; Rotenona; Derris resins; MLS000738056; CHEMBL429023; CHEBI:28201; 03L9OT429T; Rotacide E.C.; CUBE; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-; (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one; (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one; (2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one; 1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; 1,2,12,12aalpha-Tetrahydro-2a-isopropenyl-8,9-dimethoxy(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; NCGC00017358-05; AK115691; DSSTox_CID_1248; DSSTox_RID_76038; DSSTox_GSID_21248; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R-(2alpha,6aalpha,12aalpha))-; (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one; (2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on; [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one; Green cross warble; Rotacide; Protax; 5'.beta.-Rotenone; CAS-83-79-4; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-; (2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one; (2R,6aS,12aS)-1,2,6,6a,12,12a- hexahydro-2-isopropenyl-8,9- dimethoxychromeno[3,4-b] furo(2,3-h)chromen-6-one; (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one; (2R,6aS,12aS)-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-; SR-01000076110; Foliafume; Rotenoid; Roteonone; Nusyn; rote five; WLN: T G5 D6 B666 CV HO MO POT&TT&J IY1&U1 SO1 TO1; Chem-Fish; Foliafume E.C; Rotacide E.C; 5''beta-rotenone; 5'b-Rotenone; Rotocide E.C.; (1)Benzopyrano[3,3-h](1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-iospropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2alpha,6aalpha,12aalpha)]-; Derris, JMAF; Prestwick_542; Hydrogenated rotenone; Rotenone (7CI); MFCD09025614; Rotenone, hydrogenated; Rotenone, >=95%; Spectrum_000065; Spectrum2_000457; Spectrum3_000158; Spectrum4_001638; Spectrum5_000455; Lopac0_001112; SCHEMBL42253; BSPBio_001896; isopropenyl(dimethoxy)[?]one; KBioGR_002075; KBioSS_000465; SPECTRUM200013; DivK1c_000947; Rotenone E.C. (7.5%); SPBio_000534; DTXSID6021248; HMS502P09; KBio1_000947; KBio2_000465; KBio2_003033; KBio2_005601; KBio3_001116; inhibits NADH2 oxidation to NAD; NSC8505; JUVIOZPCNVVQFO-HBGVWJBISA-N; NINDS_000947; HMS3263O06; BCP07278; HY-B1756; NSC-8505; TNP00301; ZINC3860715; Tox21_110819; Tox21_201904; Tox21_300695; Tox21_501112; 2901AC; BDBM50135527; CCG-39886; LMPK12060007; NSC-26258; SBB006465; AKOS004910398; Tox21_110819_1; API0004105; CS-6067; DB11457; LP01112; LS-1830; MCULE-7287067191; MCULE-7415617623; SDCCGMLS-0066415.P001; IDI1_000947; NCGC00017358-01; NCGC00017358-02; NCGC00017358-03; NCGC00017358-04; NCGC00017358-06; NCGC00017358-07; NCGC00017358-08; NCGC00017358-09; NCGC00017358-10; NCGC00017358-11; NCGC00017358-14; NCGC00017358-15; NCGC00094382-01; NCGC00094382-02; NCGC00094382-03; NCGC00094382-04; NCGC00094382-05; NCGC00254603-01; NCGC00259453-01; NCGC00261797-01; AS-10183; NCI60_002093; SC-66514; SMR000393729; ST057261; AX8150549; ST2413787; EU-0101112; R0090; Rotenone, PESTANAL(R), analytical standard; TRANSGENIC MODEL EVALUATION (ROTENONE); C07593; R 8875; 26914-EP2275422A1; 26914-EP2280009A1; 26914-EP2305662A1; 26914-EP2308857A1; 26914-EP2314583A1; 599T610; Q412388; SR-01000076110-2; SR-01000076110-5; SR-01000076110-6; W-104134; BRD-K08316444-001-01-9; BRD-K08316444-001-05-0; ROTENONE (SEE ALSO TRANSGENICMODEL EVALUATION (ROTENONE)); (2R,6a5,12axS)-1,2,12,12a-tetrahydro-2a-isopropenyl-8,9-dimethoxy(1)benzopyrano(3,4-b)furo(2,3-H)(1)benzopyran-6(6aH)-one; (2R,6aS,12aS)-8,9-Dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one; (2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-one; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropenyl-8,9-dimethoxy- (8CI); [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)- (9CI); [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-o ne; [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one; 1,2,12,12a-tetrahydro-2alpha-isopropenyl-8,9-dimethoxy(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-(1)benzopyrano(3,4-b)furo(2,3-h) (1)benzopyran-6(6aH)-one, (2R-(2alpha, 6alpha-12aalpha))-; 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, (2R-(2alpha, 6alpha-12aalpha))-; 1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 9CI; 2-Isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-H]chromen-6(6ah)-one; Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-on e, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, ([2.2.1]R-([2.2.1]alpha,6aalpha,[2.2.1][2.2.1]aalpha))-; Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, ([2.2.1]R-([2.2.1]alpha,6aalpha,[2.2.1][2.2.1]aalpha))-; Tubatoxin 1,2,12,12a,-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]-benzopyran-6(6aH)-one",
"trade_name": "Tubatoxin, Paraderil",
"abbrev_name": "",
"description": "isoflavone; naturally occurs in the jicama vine plant; broad-spectrum insecticide, piscicide, and pesticide; member of rotenoids; Class II/B Complex I inhibitors; semiquinone antagonist; inhibits the transfer of electrons from iron-sulfur centers in complex I to ubiquinone; Complex I inhibitor; Classical respiratory inhibitors ; naturally occurring substances containing a cis-fused tetrahydrochromeno[3,4-b]chromene nucleus.",
"molecular_formula": "C23H22O6",
"molecular_weight": "394.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6758",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T001061",
"T387"
],
"function": [
"F010401",
"F0108",
"F0201",
"F02010202",
"F020103",
"F02040101",
"F020403",
"F0504",
"F0701",
"F0703"
],
"references": [
"RC00514",
"RC00515",
"RC00953",
"RC01103",
"RC01344",
"RC01345",
"RC02114",
"RC02735",
"RC03356",
"RC03436",
"RC03438",
"RC03653",
"RC03654",
"RC03655",
"RC03788",
"RC04655",
"RC04669",
"RC04684",
"RC04954"
]
},
{
"compound_ID": "D0230",
"name": "RWJ-348260",
"synonyms": "CHEMBL177454; SCHEMBL18979323; BDBM50138100; RWJ-348260; {2-[2-((R)-4-Hexyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-ethoxy]-phenyl}-acetic acid",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H29NO5",
"molecular_weight": "411.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10112293",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0231",
"name": "Rolliniastatin-1",
"synonyms": "Rolliniastatin-1; LMPK03000010",
"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": "42607501",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01352"
]
},
{
"compound_ID": "D0232",
"name": "Sodium Azide",
"synonyms": "sodium azide; 26628-22-8; Azide, sodium; Natriumazid; Sodiumazide; Nemazyd; SMITE; Kazoe; Azoture de sodium; Sodium azide (Na(N3)); hydrazoic acid, sodium salt; Natriumazid [German]; Natriummazide [Dutch]; azidosodium; Azydek sodu [Polish]; Caswell No. 744A; Sodium trinitride; RCRA waste number P105; NSC 3072; Azoture de sodium [French]; UNII-968JJ8C9DV; Sodium, azoture de [French]; Sodium, azoturo di [Italian]; CCRIS 1261; HSDB 695; NCI-C06462; EINECS 247-852-1; UN1687; RCRA waste no. P105; EPA Pesticide Chemical Code 107701; CHEMBL89295; AI3-50436; 968JJ8C9DV; CHEBI:278547; U-3886; Sodium Azide-15N3; DSSTox_CID_121; DSSTox_RID_75383; DSSTox_GSID_20121; Sodium azide, 99%, extra pure; Natriummazide; Azydek sodu; Sodium azide, 99+%, for biochemistry; Sodium, azoture de; Sodium, azoturo di; CAS-26628-22-8; 1015486-10-8; NaN3; azido sodium; sodium azid; sodium-azide; Natrium azide; sodium azid e; EC 247-852-1; Sodium azide (nominal conc.); DTXSID8020121; CTK1A3263; PXIPVTKHYLBLMZ-UHFFFAOYSA-N; ZX-AFC000540; Sodium azide [UN1687] [Poison]; Tox21_202461; Tox21_300024; ANW-56399; GE6920; Sodium azide [UN1687] [Poison]; AKOS015833396; AKOS015951264; LS-1109; NCGC00090996-01; NCGC00254054-01; NCGC00260010-01; CC-34465; sodium triaza-1,2-dien-2-ium-1,3-diide; TR-012046; S0489; C-24251; Q407577; J-016500",
"trade_name": "",
"abbrev_name": "",
"description": "anion with the formula N⁻ ₃; inhibits cytochrome c oxidase together with ATP synthetase",
"molecular_formula": "N3Na",
"molecular_weight": "65.01",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "33557",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T005"
],
"function": [
"F020403",
"F0402"
],
"references": [
"RC03601",
"RC04956"
]
},
{
"compound_ID": "D0233",
"name": "Sulfur Dioxide",
"synonyms": "sulfur dioxide; sulphur dioxide; Sulfurous anhydride; 7446-09-5; Sulfurous oxide; Sulfur superoxide; Fermenicide liquid; Fermenicide powder; Sulfurous acid anhydride; Schwefeldioxid; Sulfur oxide (SO2); Oxosulfane oxide; Siarki dwutlenek; Sulfur dioxide (SO2); dioxidosulfur; Schwefeldioxyd; Surfur dioxide (anhydrous); Sulfur dioxide (NF); SULFUR-DIOXIDE; Caswell No. 813; RAHZWNYVWXNFOC-UHFFFAOYSA-N; Schwefeldioxyd [German]; Siarki dwutlenek [Polish]; SO2; UN 1079; UNII-0UZA3422Q4; FEMA No. 3039; CCRIS 9001; HSDB 228; CHEBI:18422; 0UZA3422Q4; EINECS 231-195-2; Sulfur dioxide (SO2) 10% by volume or more SO2; UN1079; EPA Pesticide Chemical Code 077601; Sulfur dioxide [NF]; E220; Sulfur dioxide [UN1079] [Poison gas]; Sulfon; Sulfur dioxide, >=99.9%; Sulfurdioxide; sulfonyl; sulfuryl; sulphonyl; sulfer dioxide; Dioxide, Sulfur; Fermenticide liquid; Oxosulfane oxide #; Schwefel(IV)-oxid; Anhydride, Sulfurous; Sulfur dioxide,liquid; ACMC-1BHHQ; 67015-63-8; Sulfur dioxide, >=99.98%; CHEMBL1235997; DTXSID6029672; CTK2H7729; FEMA 3039; InChI=1/O2S/c1-3-2; RAHZWNYVWXNFOC-UHFFFAOYSA-; [SO2]; AKOS015904447; Sulfur dioxide, puriss., >=99.9%; LS-3224; SC-81833; Sulfur dioxide [UN1079] [Poison gas]; TR-024070; Q5282; R-764; C09306; D05961; EC 231-195-2",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "O2S",
"molecular_weight": "64.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1119",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0234",
"name": "TCDD",
"synonyms": "2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN; Dioxin; TCDD; Tetradioxin; Tetrachlorodibenzodioxin; 1746-01-6; Dioxine; TCDBD; 2,3,7,8-Tetrachlorooxanthrene; 2,3,7,8-Tetrachlorodibenzodioxin; 2,3,7,8-TCDD; Dioksyny; Dioksyny [Polish]; Dioxin (herbicide contaminant); 2,3,7,8-Tetrachlorodibenzo-1,4-dioxin; NCI-C03714; Dibenzo-p-dioxin, 2,3,7,8-tetrachloro-; UNII-DO80M48B6O; CCRIS 576; PCDD 48; HSDB 4151; EINECS 217-122-7; 2,3,7,8-tetrachloro-dibenzo-p-dioxin; BRN 0271116; Dibenzo(b,e)(1,4)dioxin, 2,3,7,8-tetrachloro-; 2,3,7,8-Czterochlorodwubenzo-p-dwuoksyny; DO80M48B6O; CHEBI:28119; 2,3,7,8-Tetrachlorodibenzo(b,e)(1,4)dioxin; 2,3,7,8-Tetrachlorodibenzo[b,e][1,4]dioxin; HGUFODBRKLSHSI-UHFFFAOYSA-N; 2,3,7,8-Tetra polychlorinated dibenzo-p-dioxin; 2,3,7,8-tetrachlorodibenzodioxine; 2,3,7,8-Czterochlorodwubenzo-p-dwuoksyny [Polish]; Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro-; 2,3,7,8-Tetrachlorodibenzo-p-dioxin [Dioxin and dioxin-like compounds]; Dioxin mixture; 2,3,7,8-Tetrachloro-p-dioxin; TCDB D; DSSTox_CID_1315; SCHEMBL8939; DSSTox_RID_76075; DSSTox_GSID_21315; [3H]-TCDD; CHEMBL30327; Tetrachlorodibenzo-1,4-dioxin; TEF TRANSGENICS (TCDD); GTPL9642; DTXSID2021315; BDBM23927; CTK5A5713; ZINC897030; 2,3,7,8-Tetrachlorooxanthrene #; Tox21_202792; LS-938; MFCD00152860; 2,3,7,8-T4CDD; AKOS022181518; 2,3,7,8-:tetrachlorodibenzo-p-dioxin; NCGC00260338-01; CAS-1746-01-6; dibenzo-dioxin, 2,3,7,8-tetrachlorinated; 2,3,7,8-Tetrachloro-Dibenzo[1,4]Dioxine; FT-0674944; Y1783; 2,3,7,8-Tetrachlorodibenzo(b,e)(1,4)dioxan; C07557; Q52822; 2,3,7,8-Tetrachloro-dibenzo[b,e][1,4]dioxin; 2,3,7,8-tetrachlorodibenzo[b,e][1,4]dioxine; BRD-K90697689-001-01-5; UNII-OHF2F5C0ZH component HGUFODBRKLSHSI-UHFFFAOYSA-N; 2,3,7,8-Tetrachlorodibenzo-p-dioxin 10 microg/mL in Toluene; TRANSGENIC MODEL EVALUATION (2,3,7,8-TETRACHLORODIBENZODIOXIN); 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN (SEE ALSO TRANSGENIC MODEL EVALUATION (2,3,7,8-TETRACHLORODIBENZODIOXIN)); 56795-67-6; TOXIC EQUIVALENCY FACTOR EVALUATION (TCDD) (SEE ALSO TCDD & TRANSGENIC MODEL EVALUATION)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H4Cl4O2",
"molecular_weight": "322",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15625",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0235",
"name": "Tert-Butyl Hydroperoxide",
"synonyms": "TERT-BUTYL HYDROPEROXIDE; 75-91-2; T-Butyl hydroperoxide; TBHP; tert-Butylhydroperoxide; Perbutyl H; t-Butylhydroperoxide; 2-Hydroperoxy-2-methylpropane; Cadox TBH; Hydroperoxide, 1,1-dimethylethyl; 1,1-Dimethylethyl hydroperoxide; tert-Butyl hydrogen peroxide; Terc. butylhydroperoxid; Hydroperoxyde de butyle tertiaire; Hydroperoxide, tert-butyl; Slimicide DE-488; Tertiary butyl hydroperoxide; Trigonox a-75; Trigonox A-W70; TBHP-70; NSC 672; Tertiary-butyl hydroperoxide; 1,1-Dimethylethylhydroperoxide; tert-Butyl-hydroperoxide; Caswell No. 130BB; Dimethylethyl hydroperoxide; Trigonox A-75 [Czech]; T-Hydro; t-BuOOH; UNII-955VYL842B; terc.Butylhydroperoxid [Czech]; CCRIS 5892; HSDB 837; terc. Butylhydroperoxid [Czech]; EINECS 200-915-7; DE 488; DE-488; BRN 1098280; Hydroperoxyde de butyle tertiaire [French]; AI3-50541; CHEBI:64090; CIHOLLKRGTVIJN-UHFFFAOYSA-N; 955VYL842B; Hydroperoxide, 1,1-dimethylethyl-; tert-Butyl Hydroperoxide (70% Solution in Water); Tert-Butyl hydroperoxide, 70% solution in water; tert-Butyl hydroperoxide, >90% with water [Forbidden]; terc.Butylhydroperoxid; tert Butylhydroperoxide; Kayabutyl H; tBuOOH; tert-BuOOH; tBOOH; Perbutyl H 69; Perbutyl H 69T; Perbutyl H 80; Luperox TBH 70X; t-butyl-hydroperoxide; terbutyl hydroperoxide; tert-butyhydroperoxide; tert-C4H9OOH; Trigonox A-W 70; t-butyl hydrogenperoxide; t-butyl-hydrogenperoxide; tert.-butylhydroperoxide; tert.butyl hydroperoxide; tertiarybutylhydroperoxide; tertbutylhydrogen peroxide; t-butyl hydrogen peroxide; tert.-butyl hydroperoxide; ACMC-1BM3U; DSSTox_CID_4693; tert-butylhydrogen peroxide; 2-methylpropane-2-peroxol; EC 200-915-7; DSSTox_RID_78866; DSSTox_GSID_31209; tertiary butyl hydro peroxide; Hydroperoxide,1-dimethylethyl; KSC377C1B; Trigonox A-80 (Salt/Mix); UN 2093 (Salt/Mix); UN 2094 (Salt/Mix); CAS-NOCAS_31209; USP -800 (Salt/Mix); CHEMBL348399; NSC672; DTXSID9024693; tert-Butyl hydroperoxide (8CI); WLN: QOX1&1&1; CTK2H7110; tert-Butyl hydroperoxide solution; tert-Butyl-hydroperoxide solution; NSC-672; 2-Methyl-prop-2-yl-hydroperoxide; KS-00000X6A; ZINC8585869; Tox21_200838; ANW-43954; Aztec t-butyl Hydroperoxide-70, Aq; MFCD00002130; tert-Butyl hydroperoxide solution, CP; AKOS000121070; LS-1679; RTR-032030; NCGC00090725-01; NCGC00090725-02; NCGC00090725-03; NCGC00258392-01; Hydroperoxide, 1,1-dimethylethyl (9CI); SC-46818; tert-Butyl hydroperoxide, >90% with water; TR-032030; B3153; FT-0657109; 22991-EP2284165A1; 22991-EP2298755A1; 22991-EP2305684A1; 22991-EP2305825A1; 22991-EP2308492A1; 22991-EP2311850A1; 22991-EP2315502A1; 22991-EP2380874A2; 72702-EP2292610A1; 72702-EP2308492A1; 81228-EP2289887A2; 81228-EP2289888A2; 81228-EP2295401A2; 81228-EP2305687A1; 84903-EP2281821A1; 84903-EP2305808A1; 101542-EP2277880A1; 101542-EP2289887A2; 101542-EP2289888A2; 101542-EP2292610A1; 101542-EP2301934A1; Q286326; J-509597; tert-Butyl hydroperoxide solution, ~5.5 M in decane; F1905-8242; tert-Butyl hydroperoxide solution, 5.0-6.0 M in decane; tert-Butyl hydroperoxide solution, 5.0-6.0 M in nonane; Luperox(R) TBH70X, tert-Butyl hydroperoxide solution, 70 wt. % in H2O; tert-Butyl hydroperoxide solution, ~80% in di-tert-butyl peroxide/water 3:2; tert-Butyl hydroperoxide solution, packed in FEP bottles, ~5.5 M in decane (over molecular sieve 4??); tert-Butyl hydroperoxide solution, packed in FEP bottles, ~5.5 M in nonane (over molecular sieve 4 ??)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C4H10O2",
"molecular_weight": "90.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6410",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0236",
"name": "Tirapazamine",
"synonyms": "Tirapazamine",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H6N4O2",
"molecular_weight": "178.15",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "33776",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0237",
"name": "Otivarin",
"synonyms": "Otivarin; 92280-15-4",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C37H68O8",
"molecular_weight": "640.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "102574800",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01354"
]
},
{
"compound_ID": "D0238",
"name": "Usnic Acid",
"synonyms": "usnic acid; 125-46-2; Usniacin; Usnein; Usno; usnic-acid; Usninic acid; Usninsaeure [German]; (+-)-Uanic acid; 7-Hydroxy-(S)-usnate; Usinic acid; L-Usnic acid; NSC 8517; CCRIS 5518; HSDB 7170; NSC5890; 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; C18H16O7; EINECS 204-740-7; BRN 1299865; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione; AI3-50457; CHEBI:2264; NSC5889; NSC8517; 2,6-Diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione; 1,3-(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; Spectrum_000177; (+/-)-Usnic acid; Spectrum2_000744; Spectrum3_001195; Spectrum4_001811; Spectrum5_000541; USNIC ACID, (D); USNIC ACID, (L); (.+/-.)-Usnic acid; BSPBio_002869; KBioGR_002446; KBioSS_000657; DivK1c_001009; SCHEMBL177774; SPBio_000728; CHEMBL1375951; DTXSID0040123; CTK8B2970; HMS503I19; KBio1_001009; KBio2_000657; KBio2_003225; KBio2_005793; KBio3_002369; CUCUKLJLRRAKFN-UHFFFAOYSA-N; NINDS_001009; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; KS-00000NQ8; NSC-5889; NSC-5890; NSC-8517; ANW-41521; BBL009902; CCG-40251; STK801335; AKOS005613032; SDCCGMLS-0066516.P001; IDI1_001009; NCGC00094823-01; NCGC00094823-02; NCGC00094823-03; AK321967; AS-18744; LS-61059; NCI60_004436; NCI60_004437; SC-19538; RT-003562; FT-0605175; FT-0627625; U0023; X1246; A805384; Usnic acid, Antibiotic for Culture Media Use Only; Q-100111; BRD-A85739295-001-03-6; Q27105599; WLN: T B656 CV EV HO FU BHT & JB1 DV1 KQ L1 MQ; 1,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; 2,6-diethanoyl-8,9b-dimethyl-7,9-bis(oxidanyl)dibenzofuran-1,3-dione; Dibenzofuran-1,9bH)-dione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; (+/-)-1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-9bh-dibenzofuran-1,3-dione, AldrichCPR; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione #; 2,6-Diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldiben- zofuran-1,3-dione/ Usno",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H16O7",
"molecular_weight": "344.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5646",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0239",
"name": "Ubiquinone-2",
"synonyms": "Ubiquinone-2; Coenzyme Q2; Ubiquinone Q2; 606-06-4; Ubiquinone 2; UNII-I7T5V2W47R; I7T5V2W47R; CHEBI:46372; 2,3-Dimethoxy-5-geranyl-6-methyl-1,4-benzoquinone; (E)-2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-; 2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; p-Benzoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-, (E)-; 7704-04-3; 1339-63-5; Coenzyme Q2, >=90%; Ubiquinone 2 (Coenzyme Q2); SCHEMBL623496; SCHEMBL1506676; CHEMBL1236595; SQQWBSBBCSFQGC-JLHYYAGUSA-N; ZINC1532641; MFCD00871693; DB08690; 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; CoQ8, Coenzyme Q8 (E. coli), powder; LS-177332; C00399; dimethoxy-5-methyl-6-geranyl-1,4-benzoquinone; 2,3-Dimethoxy-5-methyl-6-geranyl-1,4-benzoquinone; Q27097878; 2,3-Dimethoxy-5-methyl-6-(3,7-dimethyl-2,6-octadienyl)-p-benzoquinone; 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl- p-Benzoquinone; 2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5,6-dimethoxy-3-methyl- p-Benzoquinone; 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone; Q 2",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H26O4",
"molecular_weight": "318.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5280346",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01372"
]
},
{
"compound_ID": "D0240",
"name": "Ubiquinone-3",
"synonyms": "Ubiquinone Q3; 1173-76-8; Coenzyme Q3; CoQ3; Ubiquinone 3; SCHEMBL5530210; CHEMBL4166910; SCHEMBL16393869; ZINC72399614; 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-; 2,3-Dimethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,4-benzoquinone",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H34O4",
"molecular_weight": "386.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6440937",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01373"
]
},
{
"compound_ID": "D0241",
"name": "Aurachin a",
"synonyms": "Aurachin A; Aurachin-A; 108354-15-0; CHEMBL572427; SCHEMBL16552887; Furo(2,3-c)quinoline-2-methanol, alpha-(4,8-dimethyl-3,7-nonadienyl)-1,2-dihydro-alpha,4-dimethyl-, 5-oxide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H33NO3",
"molecular_weight": "395.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6439172",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01359"
]
},
{
"compound_ID": "D0242",
"name": "WY-14,643",
"synonyms": "Pirinixic acid; 50892-23-4; WY-14643; [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid; WY-14,643; WY14643; Wy 14643; WY-14643 (Pirinixic Acid); Wyeth 14,643; Pirinixic acid [INN]; (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid; UNII-86C4MRT55A; C14H14ClN3O2S; CCRIS 133; NSC 310038; Acide pirinixique [INN-French]; Acido pirinixico [INN-Spanish]; Acidum pirinixicum [INN-Latin]; NSC310038; NSC-310038; BRN 0759945; ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid; Acetic acid, ((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-; 86C4MRT55A; CHEMBL295416; CHEBI:32509; SZRPDCCEHVWOJX-UHFFFAOYSA-N; ACETIC ACID, ((4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIO)-; NCGC00014702-03; DSSTox_CID_290; ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid; 2-({4-Chloro-6-[(2,3-Dimethylphenyl)amino]pyrimidin-2-Yl}sulfanyl)acetic Acid; Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-; Wyeth-14,643; DSSTox_RID_75491; DSSTox_GSID_20290; ((4-Chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)acetic acid; (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid; Acido pirinixico; Acide pirinixique; ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}thio)acetic acid; Acidum pirinixicum; CAS-50892-23-4; CXPTA; SR-01000597401; Wyeth-14643; Pirnixic acid; [[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid; HSDB 8056; WY1; Tocris-1312; WY14,643; ACMC-209kqp; WY 14,643; Spectrum5_001947; 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid; wy-14643-pirinixic-acid; NCIStruc1_001774; NCIStruc2_001509; CBiol_001856; BSPBio_001540; KBioGR_000260; KBioGR_002353; KBioSS_000260; KBioSS_002356; 5-25-12-00458 (Beilstein Handbook Reference); JMC515449 Compound 1; MLS004773935; SCHEMBL293161; SPECTRUM1505106; WY-14643; Pirinixic Acid; WY14643 (Pirinixic Acid); BML2-E12; GTPL2666; ZINC1963; DTXSID4020290; WY 14643 (Pirinixic Acid); BDBM24566; CTK3I9349; KBio2_000260; KBio2_002353; KBio2_002828; KBio2_004921; KBio2_005396; KBio2_007489; KBio3_000519; KBio3_000520; KBio3_002832; 4-chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid; cMAP_000028; Bio1_000142; Bio1_000631; Bio1_001120; Bio2_000260; Bio2_000740; HMS1361M22; HMS1791M22; HMS1989M22; HMS3267N11; HMS3402M22; HMS3412G06; HMS3649C12; HMS3653N21; HMS3676G06; BCP21201; EX-A2258; Tox21_110058; Tox21_201609; Tox21_300634; 4-chloro-6-(2,3-dimethylphenyl)amino-2-pyrimidinylthioacetic acid; ANW-31151; BS0206; CCG-37145; GL2940; MFCD00191335; NCGC00014702; NCI310038; s8029; AKOS015902283; Tox21_110058_1; AM81246; API0015804; CS-4661; ES-0025; LS-1314; SB19568; IDI1_034010; NCGC00014702-02; NCGC00014702-04; NCGC00014702-05; NCGC00014702-06; NCGC00014702-07; NCGC00014702-08; NCGC00014702-09; NCGC00014702-10; NCGC00014702-11; NCGC00014702-12; NCGC00014702-15; NCGC00014702-17; NCGC00025107-01; NCGC00025107-02; NCGC00025107-03; NCGC00025107-04; NCGC00025107-05; NCGC00025107-06; NCGC00025107-07; NCGC00025107-08; NCGC00254449-01; NCGC00259158-01; 4CA-1346; AK468729; HY-16995; NCI60_002666; SC-95568; SMR001798898; DB-051855; TC-119896; FT-0602973; SW203787-2; Y0478; Acetic acid,3-xylidino)-2-pyrimidinyl]thio]-; A12360; C15617; S-7756; TRANSGENIC MODEL EVALUATION (WY-14643); C-19783; Q7198008; SR-01000597401-1; SR-01000597401-3; SR-01000597401-4; SR-01000597401-6; BRD-K01902415-001-02-6; BRD-K01902415-001-03-4; Acetic acid,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-; [4-chloro-6-(2,3-xylidino)-2-pyrimidinyl-thio]-acetic acid; ((4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl)thio)acetic acid; (4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL THIO)ACETIC ACID; ([4-Chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]sulfanyl)acetic acid #; (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid (WY-14643); [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]aceticacid; [4-Chloro-6-(2,3-dimethyl-phenylamino)-pyrimidin-2-ylsulfanyl]-acetic acid; 2-((4-Chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)thio)acetic acid; 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)acetic acid; 2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid; Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-; (4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIO) ACETIC ACID (WY-14643) (SEE ALSO PEROXISOME PROJECT (WY-14643)); PEROXISOME PROJECT (WY-14643)(SEE ALSO (4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIO) ACETIC ACID (WY-14643))",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H14ClN3O2S",
"molecular_weight": "323.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5694",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0243",
"name": "1-chloro-2,4-dinitrobenzene (DNCB)",
"synonyms": "1-chloro-2,4-dinitrobenzene; 2,4-Dinitrochlorobenzene; 97-00-7; Dinitrochlorobenzene; DNCB; CDNB; 4-Chloro-1,3-dinitrobenzene; 2,4-Dinitrophenyl chloride; Benzene, 1-chloro-2,4-dinitro-; Dinitrochlorobenzol; 1,3-Dinitro-4-chlorobenzene; 2,4-Dinitro-1-chlorobenzene; 6-Chloro-1,3-dinitrobenzene; 1-Chloro-2,4-dinitrobenzol; ClDNB; DNPCl; 1-Chlor-2,4-dinitrobenzol; 1-Chlor-2,4-dinitrobenzene; 1-Cloro-2,4-dinitrobenzene; 1-Chloor-2,4-dinitrobenzeen; Caswell No. 389C; UNII-GE3IBT7BMN; Dinitrochlorobenzene (VAN); NSC 6292; 1-chloro-2,4-dinitro-benzene; CCRIS 1799; CHEBI:34718; HSDB 5306; GE3IBT7BMN; EINECS 202-551-4; 2,4-dinitro chlorobenzene; C6H3ClN2O4; 1-Chloor-2,4-dinitrobenzeen [Dutch]; 1-Chloro-2,4-dinitrobenzeen [Dutch]; 1-Chloro-2,4-dinitrobenzol [German]; EPA Pesticide Chemical Code 055102; 1-Cloro-2,4-dinitrobenzene [Italian]; AI3-01053; NSC6292; VYZAHLCBVHPDDF-UHFFFAOYSA-N; DSSTox_CID_278; DSSTox_RID_75481; DSSTox_GSID_20278; 1-Chloro-2,4-dinitrobenzene, 99%; CAS-97-00-7; SMR000857169; 1-Chloro-2,4-dinitrobenzeen; 2,4-dinitrochlorbenzene; WLN: WNR BG ENW; 2,4-dinitro-chlorobenzene; chloro-2,4-dinitrobenzene; Epitope ID:110163; EC 202-551-4; 2,4-dinitro-chloro-benzene; 2,4dinitro-1-chlorobenzene; SCHEMBL39251; 2-chloro-1,5-dinitrobenzene; MLS001332459; MLS001332460; ARONIS27043; BIDD:ER0694; ACMC-209s83; 1-chloro-2,4-dinitro benzene; CHEMBL292687; DTXSID6020278; CTK3I6861; HMS2233O04; BCP27853; KS-000048JI; NSC-6292; STR01511; ZINC1540301; Tox21_201956; Tox21_302802; ANW-40849; BBL009322; MFCD00007075; SBB060419; STK387094; 1-Chloro-2,4-dinitrobenzene, 97%; AKOS000118946; 1 - Chloro - 2,4 - dinitrobenzene; 1-Chloro-2,4-dinitrobenzene, ~95%; DB11831; LS-2020; MCULE-9671248933; RTR-032483; 1-Chloro-2,4-dinitrobenzene, >=99%; KS-000017P6; NCGC00164061-01; NCGC00164061-02; NCGC00164061-03; NCGC00256396-01; NCGC00259505-01; SC-46724; DB-057658; TR-032483; AM20050502; ST50826821; AZ0001-0018; B-1264; C14397; Q209216; 1-Chloro-2,4-dinitrobenzene, technical grade, 95%; W-100123; 1-Chloro-2,4-dinitrobenzene 100 microg/mL in Methanol; 3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propanoic acid; F1908-0126; InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3",
"trade_name": "",
"abbrev_name": "CDNB, DNCB",
"description": "glutathione (GSH) inhibitor; alkylating agent used for depleting intracellular GSH",
"molecular_formula": "C6H3ClN2O4",
"molecular_weight": "202.55",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T399"
],
"function": [],
"references": [
"RC03837",
"RC03838"
]
},
{
"compound_ID": "D0245",
"name": "5-Hydroxydecanoate",
"synonyms": "5-hydroxydecanoate; CTK6D6864; CCG-204716; NCGC00162206-01; NCGC00162206-02; NCGC00162206-03",
"trade_name": "",
"abbrev_name": "5-HD",
"description": "",
"molecular_formula": "C10H19O3-",
"molecular_weight": "187.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1824",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T208"
],
"function": [
"F02060101",
"F02110304"
],
"references": [
"RC03473",
"RC03475",
"RC03477"
]
},
{
"compound_ID": "D0246",
"name": "Alexidine",
"synonyms": "alexidine; 22573-93-9; Compound 904; Alexidina; Alexidinum; 1,1'-Hexamethylenebis(5-(2-ethylhexyl)biguanide); CHEBI:53661; N,N''-Bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; Bisguanidine; Bisguadine; A-4890; N,N''''-hexane-1,6-diylbis[N'-(2-ethylhexyl)(imidodicarbonimidic diamide)]; N,N'-bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; Alexidine [USAN:INN]; Alexidinum [INN-Latin]; SMR001233329; Alexidina [INN-Spanish]; Win 21,904; Win 21-904; EINECS 245-096-7; Spectrum_000459; Alexidine (USAN/INN); Prestwick0_000777; Prestwick1_000777; Prestwick2_000777; Prestwick3_000777; Spectrum2_001099; Spectrum3_001550; Spectrum4_000756; Spectrum5_001227; 1,1'-Hexamethylenebis-(5-(ethylhexyl)biguanide); SCHEMBL94278; BSPBio_000854; BSPBio_003000; KBioGR_001112; KBioSS_000939; DivK1c_000722; SPBio_001178; SPBio_002793; BPBio1_000940; CHEMBL1195210; DTXSID4048482; SCHEMBL20597789; BDBM59086; KBio1_000722; KBio2_000939; KBio2_003507; KBio2_006075; KBio3_002500; cid_18968508; LFVVNPBBFUSSHL-UHFFFAOYSA-N; NINDS_000722; BCP09349; WIN-21904; API0008638; 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(2-ethylhexyl)-3,12-diimino-; IDI1_000722; QTL1_000005; NCGC00178352-01; NCGC00178352-02; DB-091261; AB00053637; FT-0621957; D02804; AB00053637_04; AB00053637_05; 573A939; Q15633921; 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(2-ethylhexyl)-3,12-diimino-; 1-[amino-[6-[[amino-[[amino(2-ethylhexylimino)methyl]amino]methylidene]amino]hexylimino]methyl]-2-(2-ethylhexyl)guanidine;hydrochloride; 1-[N''-[6-[[amino-[[N''-(2-ethylhexyl)amidino]amino]methylene]amino]hexyl]amidino]-2-(2-ethylhexyl)guanidine;hydrochloride; 1-[N''-[6-[[amino-[[N''-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride; 1-[N''-[6-[[azanyl-[[N''-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H56N10",
"molecular_weight": "508.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2090",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0247",
"name": "Alpha-cyano-5-phenyl-2,4-pentadienoate",
"synonyms": "X",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H9NO2",
"molecular_weight": "199.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5972666",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0248",
"name": "Alpha-Cyanocinnamate",
"synonyms": "alpha-Cyanocinnamic acid; alpha-Cyanocinnamate; 1011-92-3; 2-Cyano-3-phenylacrylic Acid; NSC 298; EINECS 213-788-8; Cinnamic acid, alpha-cyano-; (2E)-2-cyano-3-phenylprop-2-enoic acid; 2-Propenoic acid, 2-cyano-3-phenyl-; 14378-06-4; ALPHA-CYANOCINNAMICACID; 2-cyano-3-phenylprop-2-enoic acid; a-cyanocinnamic acid; (E)-2-Cyano-3-phenylacrylic acid; (E)-2-cyano-3-phenylprop-2-enoic acid; .alpha.-Cyanocinnamic acid; CHEMBL77595; SCHEMBL305982; 2-Cyano-3-phenyl-acrylic acid; BDBM4342; 2-Cyano-3-phenylpropenoic acid; ZINC84158; CDUQMGQIHYISOP-RMKNXTFCSA-N; HMS1757L09; ZX-AL001498; (2E)-2-cyano-3-phenylacrylic acid; 5806AF; SBB028487; STL281379; AKOS000274287; .alpha.-Cyano-.beta.-phenylacrylic acid; AS-62210; benzylidenemalononitrile (BMN) deriv. 26; LS-54070; ST50189880; (2E)-2-Cyano-3-phenyl-2-propenoic acid #; 2-propenoic acid, 2-cyano-3-phenyl-, (2E)-; AF-213/30142035; InChI=1/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H7NO2",
"molecular_weight": "173.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "643159",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T081",
"T085",
"T104"
],
"function": [
"F02110112"
],
"references": [
"RC03766",
"RC03768",
"RC03770",
"RC03771"
]
},
{
"compound_ID": "D0249",
"name": "Aprikalim",
"synonyms": "Aprikalim; UNII-374BH4KVRG; 374BH4KVRG; Aprim; RP-52891; SCHEMBL233925; CHEMBL275459; rp52891; GKEMHVLBZNVZOI-SJKOYZFVSA-N; Q27256627; (1R,2R)-2-(3-pyridyl)-N-methyltetrahydro-2H-thiopyran-2-carbothioamide 1-oxide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H16N2OS2",
"molecular_weight": "268.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9571083",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0250",
"name": "Auranofin",
"synonyms": "Ridaura; Auranofina; Auranofine; Auranofinum; AURANOFIN; Triethylphosphine gold; SK&F-39162; SK-39162; 2,3,4,6-Tetra-O-acetyl-1-thio-beta-D-glucopyranosato-S (triethylphosphine)gold; Auroafen; (1-Thio-beta-D-glucopyranosato)(triethylphosphine)gold 2,3,4,6-tetraacetate; CHEMBL1366; CHEBI:2922; GTPL6306; BDBM50153291; DB00995; (1-Thio-beta-D-glucopyranosato)(triethylphosphine)gold2,3,4,6-tetraacetate; (2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosato-kappaS(1))(triethylphosphine)gold; gold(+1) cation; (2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate; triethylphosphane",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H35AuO9PS",
"molecular_weight": "679.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Approximately 60% of the absorbed gold (15% of the administered dose) from a single dose of auranofin is excreted in urine; the remainder is excreted in the feces.",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "70788951",
"classification": "M",
"indications": "Arthritis; Psoriatic arthropathy; Rheumatoid arthritis; Synovitis",
"side_effects": "Abdominal pain (0.14); Vomiting (0.1); Anaemia; Dermatitis; Diarrhoea; Leukopenia; Protein urine present; Proteinuria; Rash; Stomatitis; Thrombocytopenia",
"atc_codes": "M01CB03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0251",
"name": "Berberine",
"synonyms": "berberine; 2086-83-1; Berberin; Umbellatine; UNII-0I8Y3P32UF; 0I8Y3P32UF; C20H18NO4; CHEBI:16118; Berberal; EINECS 218-229-1; BRN 3570374; ST055798; 9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-; 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium; Berbamine sulphate acid; CHEMBL12089; 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium; BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-; GNF-PF-4545; NSC646666; NCGC00016526-02; NCGC00016526-07; CAS-633-65-8; Berbericine; Umbellatin; Berbinium; Majarine; Thalsine; berberine dimer; Coptis rhizome; Berberinechloride; Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-; Umbellatine (6CI); Spectrum_001110; 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride; 316-41-6; Prestwick0_000586; Prestwick1_000586; Prestwick2_000586; Prestwick3_000586; Spectrum2_000894; Spectrum3_000618; Spectrum4_000785; Spectrum5_001458; UPCMLD-DP032; NCIMech_000354; SCHEMBL25632; BSPBio_000432; BSPBio_002156; KBioGR_001230; KBioSS_001590; cid_12456; DivK1c_000265; inverted exclamation markY97%; SPBio_000708; SPBio_002651; BPBio1_000476; CHEMBL295124; MEGxp0_001923; DTXSID9043857; UPCMLD-DP032:001; ACon1_001957; BCBcMAP01_000112; CTK6J4626; KBio1_000265; KBio2_001590; KBio2_004158; KBio2_006726; KBio3_001656; NINDS_000265; YBHILYKTIRIUTE-UHFFFAOYSA-N; 34MD1011DM; HMS3561D13; HY-N0716; ZINC3779067; AC-117; BBL029198; BDBM50203126; CCG-35898; STK870320; AKOS002141363; DB04115; MCULE-8261808830; SDCCGMLS-0066718.P001; 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium; IDI1_000265; SMP1_000298; NCGC00016526-01; NCGC00016526-03; NCGC00016526-04; NCGC00016526-05; NCGC00016526-06; NCGC00016526-08; NCGC00016526-11; NCGC00091896-03; LS-43472; NCI60_001050; NCI60_001224; NCI60_004319; SBI-0051613.P002; AB0106411; DB-050153; CS-0009734; FT-0603587; N1368; C00757; W-2449; 086B831; Q176525; Q-200701; Q-200702; SR-01000711827-5; BRD-K14796088-003-06-0; BRD-K14796088-003-17-7; Benzylpenicillin benzathine, Antibiotic for Culture Media Use Only; 5,6-dihydro-9,10-dimethoxy-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium; 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium; 9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-; 3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium; 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo-[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium; 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; 9,10-dimethoxy-5,6-dihydro-2H-1,3-dioxoleno[4,5-g]isoquinolino[3,2-a]isoquinol ine; 9,10-Dimethoxy-5,6-dihydro-7lambda~5~-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline; Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy- (9CI); 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium; 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-{2-[(4-methylphenyl)sulfonyl]ethyl}-1,2,4-oxadiazole; 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride; 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride; InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+",
"trade_name": "",
"abbrev_name": "BBR, Natural Yellow 18",
"description": "protoberberine group of benzylisoquinoline alkaloids found in plants; under ultraviolet light, berberine shows a strong yellow fluorescence",
"molecular_formula": "C20H18NO4+",
"molecular_weight": "336.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2353",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T417"
],
"function": [
"F01",
"F010401",
"F02010202",
"F02010203",
"F02010209",
"F020403",
"F021215",
"F021216",
"F0303",
"F05"
],
"references": [
"RC01303",
"RC01317",
"RC04011",
"RC04012",
"RC04013",
"RC04014",
"RC04015",
"RC04016",
"RC04017",
"RC04018",
"RC04019",
"RC04913"
]
},
{
"compound_ID": "D0252",
"name": "BMS 191095",
"synonyms": "BMS-191095; 166095-21-2; BMS 191095; UNII-K6V527OYN8; CHEMBL11594; K6V527OYN8; SCHEMBL8896325; ZINC3821976; BDBM50409914; CS-5470; HY-14256",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H21ClN4O2",
"molecular_weight": "408.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9822753",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0253",
"name": "Bongkrekic Acid",
"synonyms": "Bonqkrekic acid; BONGKREKIC ACID; CHEMBL1968149; 60132-21-0; NSC112904; NSC-112904; (2E,4Z,8Z,10E,14E,18E,20Z)-2,5,17-Trimethyl-6-methoxy-20-(carboxymethyl)docosane-2,4,8,10,14,18,20-heptaenedioic acid",
"trade_name": "",
"abbrev_name": "",
"description": "polyunsaturated methoxy tricarboxylic acid polyketide produced by Burkholderia gladioli pathological variant cocovenenans; inhibits mitochondrial adenine nucleotide translocase",
"molecular_formula": "C28H38O7",
"molecular_weight": "486.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5381207",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T192"
],
"function": [],
"references": [
"RC01245"
]
},
{
"compound_ID": "D0254",
"name": "Buthionine sulfoximine (BSO)",
"synonyms": "BUTHIONINE SULFOXIMINE; 5072-26-4; DL-Buthionine-[S,R]-sulfoximine; Buthionine sulfoxamine; Buthionine sulphoximine; 2-Amino-4-(butylsulfonimidoyl)butanoic acid; Buthione sulfoximine; Buthionine-S,R-sulfoximine; 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid; Butionine sulfoximine; D,L-Buthionine-(S,R)-sulfoximine; Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-; DL-Buthionine-sulfoximine; NSC 326231; NSC 381100; BRN 2367136; CHEBI:28714; DL-Buthionine-(S,R)-sulfoximine; DL-butathionine-(S,R)-sulfoximine; Sulfoximine, S-(3-amino-3-carboxypropyl)-S-butyl-; NSC326231; NSC381100; S-butyl-DL-homocysteine (S,R)-sulfoximine; S-Butyl-DL-homocysteine-[S,R]-sulfoximine; 2-amino-4-(S-butylsulfonimidoyl)butyric acid; C8H18N2O3S; DL-Buthionine (S,R)-sulfoximine, 99%; 71765-30-5; L-Buthionine (SR)-sulfoximine; Buthionine-S,R-sulfoximine, L-; L-Buthionine-(S,R)-sulphoximine; DL-Buthionine-S,R-sulfoximine; dl-buthionine (s,r)-sulfoximine; BSO; Lopac0_000231; SCHEMBL62033; BSPBio_002464; SPECTRUM1505108; CHEMBL1256575; CHEMBL1627290; DTXSID6044434; CTK8F8906; OR9025T; KJQFBVYMGADDTQ-UHFFFAOYSA-N; HMS3260P03; BCP24029; BCP27775; KS-000018ET; ZX-AT019574; Tox21_500231; MFCD00070309; STL328818; AKOS022106364; API0009406; CCG-204326; DB12870; LP00231; MCULE-8178742509; NSC-381100; NCGC00015148-03; NCGC00015148-04; NCGC00015148-05; NCGC00015148-06; NCGC00015148-07; NCGC00093696-01; NCGC00093696-02; NCGC00093696-03; NCGC00260916-01; AS-67962; LS-46081; LS-46082; NCI60_002827; HY-106376; CS-0025687; EU-0100231; FT-0624379; ST51012445; 2-Amino-4-(butylsulfonimidoyl);butanoic acid; DL-Buthionine-sulfoximine, >=99.0% (TLC); 2-Amino-4-(butylsulfonimidoyl)butanoic acid #; B 2640; C04543; SR-01000075713; Q5002519; SR-01000075713-1; 2-amino-4-[butyl(imino)oxo-??-sulfanyl]butanoic acid; BRD-A04020513-001-01-9; D,L-Buthionine-(S,R)-sulfoximine (Synonyms: Butionine sulfoximine)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H18N2O3S",
"molecular_weight": "222.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "21157",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0255",
"name": "Calcium / CaCl2",
"synonyms": "Calcium; 7440-70-2; Calcium compounds; UNII-SY7Q814VUP; HSDB 273; EINECS 231-179-5; UN1401; SY7Q814VUP; Ca; MFCD00085314; Calcium, 99%, granular; Calcium, 99%, turnings; Elemental calcium; Calcium, elemental; Kalzium; calcium atom; Calcium ingot; Calcium Chelate; Calcium standard solution, for AAS, 1 mg-ml Ca in 2 to 5% HNO3; Bio Lacta Cal; calcium(0); Calcium, Natural Milk; Calcium, granular, 99%; 20Ca; EC 231-179-5; Calcium Krebs 21% 40M; Calcium Milk Calcium 28%; Calcium Sweet Chelate 20%; Calcium Oratate 11% 40M; KSC377C8L; Ca(0); Calcium MS Plus 18% 40M; CHEMBL2146121; DTXSID9050484; CHEBI:22984; CHEBI:29320; CTK2H7185; HSDB 6931; OYPRJOBELJOOCE-UHFFFAOYSA-N; Calcium, pieces, <1 cm, 99%; 8183AF; ANW-36476; DB01373; RTR-024058; Calcium, SAJ first grade, >=99.5%; TRA-0207078; BP-31015; Calcium [UN1401] [Dangerous when wet]; LS-48625; Calcium [UN1401] [Dangerous when wet]; Calcium hydride, 99.9% trace metals basis; Calcium, turnings, 99% trace metals basis; TR-024058; Calcium Bio Calcium MS (Maxium Solubility) 40M; Calcium Bio Calcium MS Plus(Maxium Solubility) 40M; Calcium hydride, powder, 99.99% trace metals basis; Calcium hydride, reagent grade, 95% (gas-volumetric); C000001000; Calcium hydride, chunks, +4 mesh, reagent grade, 95%; Calcium, Oil based standard solution, Specpure, Ca 1000g/g; Calcium hydride, purum p.a., >=97.0% (gas-volumetric), powder; Calcium hydride, powder, 0-2 mm, reagent grade, >=90% (gas-volumetric); Calcium, dendritic pieces, purified by distillation, 99.5% trace metals basis; Calcium, dendritic pieces, purified by distillation, 99.9% trace metals basis; Calcium, dendritic pieces, purified by distillation, 99.99% trace metals basis",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "Ca",
"molecular_weight": "40.08",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "The kidney excretes 250 mmol a day in urine, and resorbs 245 mmol, leading to a net loss in the urine of 5 mmol/d.",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5460341",
"classification": "M; A",
"indications": "",
"side_effects": "",
"atc_codes": "A11AA02; M05BB02; M05BB05; M05BB04; M05BB01; A11GB01; A12AA; M05BB08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0256",
"name": "Carboxin",
"synonyms": "CARBOXIN; 5234-68-4; Carbathiin; Carboxine; Vitavax; Kisvax; Oxatin; Vitavax 75W; DCMO; 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide; DMOC; Vitavax 100; Vitavax 735D; Kemikar; Vitaflo 250; Cerevax; Enhance; Murganic; Vitaflow; Cerevax Extra; Enhance Plus; Germate Plus; RTV Vitavax; Pro-Gro; V 4X; D 735; Flo pro v seed protectant; Dual Murganic RPB; 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-; Vitavax 34; Vitavax 30-C; Vitavax-200; Vitavax-300; Vitavax-Thiram-Lindane; F 735; Caswell No. 165A; Mist-O-Matic Murganic; Carboxine [ISO-French]; 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide; DMOC (VAN); 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin; 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide; 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide; UNII-5A8K850HDE; Carboxin [ANSI:BSI:ISO]; NSC 263492; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide; CCRIS 5217; D735; 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin; HSDB 1532; 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin; D-735; EINECS 226-031-1; EPA Pesticide Chemical Code 090201; 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin; BRN 0983249; 1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-; 1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-; 5A8K850HDE; CHEBI:3405; GYSSRZJIHXQEHQ-UHFFFAOYSA-N; 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin [German]; DSSTox_CID_3951; DSSTox_RID_77240; DSSTox_GSID_23951; Fenoxan; Karboxyn; CAS-5234-68-4; Vitavax EC 200; (6-methyl(2,3-dihydro-1,4-oxathiin-5-yl))-N-benzamide; Carboxine Form II; 2,4-oxathiin; Cambridge id 5373048; TimTec1_001678; SCHEMBL18392; 5-19-07-00251 (Beilstein Handbook Reference); MLS000059188; 2,4-oxathiin-5-carboxanilide; 5,4-oxathiin-3-carboxanilide; 5-Carboxanilido-2,4-oxathiin; 1, 5,6-dihydro-2-methyl-; CHEMBL1231667; DTXSID0023951; ZINC43478; HMS1538M06; HMS2231N20; HMS3370C04; HMS3604G19; DNDI1724944; HY-B2064; KS-00000JG9; WLN: T6O DS BUTJ B1 CVMR; Tox21_201988; Tox21_300706; NSC263492; SBB056737; STK838152; Carboxin 10 microg/mL in Cyclohexane; AKOS000545990; 1, 5,6-dihydro-2-methyl-N-phenyl-; CCG-236658; CS-W019702; DB04657; FS-3015; MCULE-1167484479; NSC-263492; SDCCGMLS-0037038.P002; NCGC00053919-02; NCGC00053919-03; NCGC00053919-04; NCGC00053919-05; NCGC00053919-06; NCGC00254614-01; NCGC00259537-01; AC-12556; AK-32289; BR-32289; LS-99691; O451; Pesticide5_Carboxin_C12H13NO2S_Vitavax; SMR000069560; ST020597; AB0016465; DB-052115; ST2412721; 1, 2,3-dihydro-5-carboxanilido-6-methyl-; AM20060655; FT-0602928; Carboxine, PESTANAL(R), analytical standard; C11255; S-2030; AB00083271-01; AB00083271-08; 234C684; A829041; SR-01000388704; Q2937968; SR-01000388704-1; W-105831; BRD-K17610834-001-01-2; N-Phenyl-2-methyl-5,6-dihydrooxathiin-3-carboxamide; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide; 1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl- (8CI); 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide #; 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID; CARBOXIN; CBX",
"trade_name": "",
"abbrev_name": "",
"description": "A systemic agricultural fungicide and seed treatment agent",
"molecular_formula": "C12H13NO2S",
"molecular_weight": "235.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "21307",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T002",
"T002007"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01125",
"RC03574",
"RC04918"
]
},
{
"compound_ID": "D0257",
"name": "Celastrol",
"synonyms": "celastrol; 34157-83-0; Tripterin; Tripterine; (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid; C29H38O4; UNII-L8GG98663L; NSC70931; NSC 70931; (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid; CHEBI:63959; L8GG98663L; Celastrol, Celastrus scandens; D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20alpha)-; SR-05000002679; MLS002701906; 3-Hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic Acid; Spectrum_000335; Spectrum2_000150; Spectrum3_000233; Spectrum4_001966; Spectrum5_000805; SCHEMBL14954; BSPBio_001905; KBioGR_002436; KBioSS_000815; SPECTRUM201664; MLS006011086; DivK1c_000718; SPBio_000260; DTXSID2040993; GTPL10386; KBio1_000718; KBio2_000815; KBio2_003383; KBio2_005951; KBio3_001405; KQJSQWZMSAGSHN-JJWQIEBTSA-N; NINDS_000718; BDBM205457; HMS1923A13; HMS3649E12; BCP07973; EBD30960; CC0152; CCG-39919; MFCD03424073; NSC-70931; s1290; ZINC19795938; Celastrol, >=98% (HPLC), solid; AKOS025311497; AC-6031; API0001923; CS-0409; GS-6082; IDI1_000718; NCGC00178913-01; NCGC00178913-04; HY-13067; NCI60_038570; S492; SC-19832; SMR004702874; LS-157465; N1731; ST24050307; W-5302; 157C830; Q-100413; Q5057534; SR-05000002679-1; SR-05000002679-3; SR-05000002679-4; (20alpha)-3-hydroxy-2-oxo-D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oate; (20alpha)-3-hydroxy-2-oxo-D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid; (2R,4aS,6aS,12bR,14aS,14bR)-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-2-picenecarboxylic acid; 1,2,3,4,4a,5,6,6a, 11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b, 14a-hexamethyl-11-oxo-2-Picenecarboxylic acid; 10-Hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-picene-2-carboxylic acid; 2-Picenecarboxylic acid,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-; 3-Hydroxy-9.beta.,13.alpha.-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid; 3-hydroxy-9beta,13alpha-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C29H38O4",
"molecular_weight": "450.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "122724",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0258",
"name": "CGP37157",
"synonyms": "75450-34-9; CGP 37157; 7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one; CGP-37157; CGP37157; CHEMBL1495071; 7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one; C15H11Cl2NOS; BSPBio_001556; KBioGR_000276; KBioSS_000276; SCHEMBL869274; CHEBI:91650; CTK2H9014; KBio2_000276; KBio2_002844; KBio2_005412; KBio3_000551; KBio3_000552; DTXSID60996899; Bio1_000408; Bio1_000897; Bio1_001386; Bio2_000276; Bio2_000756; HMS1361N18; HMS1791N18; HMS1989N18; HMS3267K16; HMS3402N18; HMS3412I15; HMS3676I15; BDBM50139422; BN0133; HSCI1_000330; AKOS024456390; IDI1_034026; NCGC00025008-02; NCGC00025008-03; CC-23140; HY-15754; DB-055958; CS-0008572; FT-0641565; CGP-37157, >=98% (HPLC), powder; C-35564; SR-01000597388; SR-01000597388-1; BRD-A35623999-001-02-4; BRD-A35623999-001-03-2; BRD-A35623999-001-04-0; Q27163475; 7-Chloro-5-(2-chlorophenyl)-3,5-dihydro-4,1-benzothiazepin-2-ol; 4,1-Benzothiazepin-2(3H)-one, 7-chloro-5-(2-chlorophenyl)-1,5-dihydro-; 7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2 (3H)-one; 7-Chloro-5-(2-chlorophenyl)-3,5-dihydrobenzo[e][1,4]thiazepin-2(1H)-one",
"trade_name": "",
"abbrev_name": "",
"description": "inhibitor of mitochondrial Na+/Ca2+ exchanger",
"molecular_formula": "C15H11Cl2NOS",
"molecular_weight": "324.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2688",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T206"
],
"function": [
"F02110301",
"F02110302",
"F0501"
],
"references": [
"RC03564",
"RC03566",
"RC03568"
]
},
{
"compound_ID": "D0259",
"name": "Ciprofloxacin",
"synonyms": "ciprofloxacin; 85721-33-1; Ciprofloxacine; Ciprobay; Ciproxan; Cipro; Ciprofloxacina; Ciprofloxacino; Ciprofloxacinum; Cipro IV; Bacquinor; Bernoflox; Cifloxin; Ciprinol; Ciprocinol; Ciprodar; Ciproflox; Cipromycin; Ciproquinol; Ciproxina; Septicide; Cipro XR; BAY q 3939; Ciprecu; Ciprogis; Ciprolin; Ciprolon; Ciprowin; Ciproxine; Citopcin; Corsacin; Fimoflox; Ipiflox; Italnik; Probiox; Proflaxin; Proflox; Quinolid; Quintor; Roxytal; Spitacin; Superocin; Zumaflox; Baflox; Ciplus; Ciriax; Rancif; Cilab; Cixan; Cycin; Loxan; Unex; 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; Sophixin Ofteno; Ciprobay Uro; Alcon Cilox; Bi-Cipro; Cetraxal; Proksi 250; Proksi 500; Bay o 9867; UNII-5E8K9I0O4U; Ciprofloxacine [INN-French]; Ciprofloxacinum [INN-Latin]; Ciprofloxacino [INN-Spanish]; Ciproxin; Ciflox; CPFX; CCRIS 5241; 1-Cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid; C17H18FN3O3; Ciprofloxacin (Cipro); HSDB 6987; CHEMBL8; MYSWGUAQZAJSOK-UHFFFAOYSA-N; 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-; CIPRO IN DEXTROSE 5% IN PLASTIC CONTAINER; BRN 3568352; 5E8K9I0O4U; CIPRO IN SODIUM CHLORIDE 0.9% IN PLASTIC CONTAINER; CHEBI:100241; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; Velmonit; Ciprofloxacin monohydrochloride; Ciprofloxacin, 98%; Otiprio; Cipro (TN); 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-; Eni; Cyprobay; AuriPro; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazinylhydroquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; BAY-o 9867; 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; SMR000471901; CIPROFLOXACIN EXTENDED RELEASE; NSC620634; SR-05000001863; NCGC00016959-01; CAS-93107-08-5; rubrum; Ciprine; Linhaliq; BAYQ3939; Bay 09867; Bay-09867; Ciprofloxacin [USAN:INN:BAN]; ciprofloxacin-cipro; Ciprofloxacin,(S); Ciprofloxacin [USAN:USP:INN:BAN]; Spectrum_000162; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride; Ciprofloxacin Hydrchloride; Prestwick0_000113; Prestwick1_000113; Prestwick2_000113; Prestwick3_000113; Spectrum2_001567; Spectrum3_001872; Spectrum4_000874; Spectrum5_001089; Cipro (*Hydrochloride*); CBMicro_048498; Ciloxan (*Hydrochloride*); SCHEMBL2900; Oprea1_008239; Oprea1_313572; BSPBio_000126; BSPBio_003344; KBioGR_001567; KBioSS_000642; ANHYDROUS CIPROFLOXACIN; MLS001336035; MLS006011837; BIDD:GT0205; DivK1c_000095; SPECTRUM1503614; SPBio_001474; SPBio_002065; ARONIS020379; BPBio1_000140; DTXSID8022824; BDBM21690; CTK3E8144; HMS500E17; KBio1_000095; KBio2_000642; KBio2_003210; KBio2_005778; KBio3_002846; Linhaliq [Liposomal Formulation]; ZINC20220; Ciprofloxacin (JP17/USP/INN); NINDS_000095; Bay o 9867 (*Hydrochloride*); BAY-Q-3939; HMS1922E18; HMS2090O07; HMS2093I03; Pharmakon1600-01503614; ALBB-015909; BCP28586; HY-B0356; KS-000002BQ; RKL10073; BBL005612; CCG-39345; Ciprofloxacin, >=98.0% (HPLC); MFCD00185755; NSC758467; s2027; SBB012554; STK021082; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; AKOS000269653; AC-7613; CS-2410; DB00537; KS-5006; MCULE-8631780654; NSC-758467; IDI1_000095; KS-00004C43; SMP1_000125; NCGC00016959-02; NCGC00016959-03; NCGC00016959-04; NCGC00016959-05; NCGC00016959-07; NCGC00095058-01; NCGC00095058-02; NCGC00178128-01; AK163192; CPD000471901; SAM002264604; SC-17889; ST024751; SBI-0048462.P003; AB0011928; AB1009412; LS-141563; TX-017484; FT-0601635; ST24046329; A-8526; C05349; D00186; J10137; 721C331; Ciprofloxacin, VETRANAL(TM), analytical standard; Q256602; Ciprofloxacin, Antibiotic for Culture Media Use Only; SR-05000001863-1; SR-05000001863-3; BRD-K04804440-311-02-3; Z56933707; Ciprofloxacin, European Pharmacopoeia (EP) Reference Standard; Ciprofloxacin, United States Pharmacopeia (USP) Reference Standard; 1-Cyclopropyl-6-fluoro-1,4-dihydro 4-oxo-7-[1-piperazinyl)-quinoline-3-carboxylic Acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7- (1-piperazinyl)-3-quinoline-carboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3- quinolinecarboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-quinoline -3-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1piperazinyl)-3quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid; 1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,1,4-dihydro-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl); 3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-; Ciprofloxacin, Pharmaceutical Secondary Standard; Certified Reference Material; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid hydrochloride",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H18FN3O3",
"molecular_weight": "331.34",
"state": "solid",
"clearance": "The average renal clearance after a 250mg oral dose is 5.08mL/min\\*kg.[A178858] Following a 100mg intravenous dose, the average total clearance is 9.62mL/min\\*kg, average renal clearance is 4.42mL/min\\*kg, and average non renal clearance is 5.21mL/min\\*kg.[A178858]",
"volume_of_distribution": "Cirpofloxacin follws a 3 compartment distribution model with a central compartment volume of 0.161L/kg[A178858] and a total volume of distribution of 2.00-3.04L/kg.[A178876]",
"route_of_elimination": "27% of an oral dose was recovered unmetabolized in urine compared to 46% of an intravenous dose.[A178858] Collection of radiolabelled ciprofloxacin resulted in 45% recovery in urine and 62% recovery in feces.[A178876]",
"protein_binding": "20-40%.[Label,A178876]",
"half_life": "The average half life following a 250mg oral dose was 4.71 hours and 3.65 hours following a 100mg intravenous dose.[A178858] Generally the half life is reported as 4 hours.[Label,A178858]",
"absorption": "A 250mg oral dose of ciprofloxacin reaches an average maximum concentration of 0.94mg/L in 0.81 hours with an average area under the curve of 1.013L/h\\*kg.[A178858] The FDA reports an oral bioavailability of 70-80%[Label,A820] while other studies report it to be approximately 60%.[A178858] An early review of ciprofloxacin reported an oral bioavailability of 64-85% but recommends 70% for all practical uses.[A178876]",
"cid": "2764",
"classification": "S; J",
"indications": "Abdominal infection; Acute sinusitis; Anthrax; Arthropathy; Back pain; Bacteraemia; Bacterial prostatitis; Bladder pain; Blepharitis; Body temperature increased; Bronchitis chronic; Cervicitis; Conjunctivitis; Conjunctivitis bacterial; Conjunctivitis infective; Convulsion; Cystic fibrosis; Cystitis noninfective; Drug interaction; Dysentery; Fasting; Gastroenteritis; Gastrointestinal infection; Glucose-galactose malabsorption; Gonorrhoea; Hepatic failure; Influenza; Liver disorder; Lower respiratory tract infection; Osteoarthritis; Osteomyelitis; Overgrowth bacterial; Paratyphoid fever; Peritonitis; Pneumonia anthrax; Pneumonia streptococcal; Prostatitis; Pseudomonas infection; Renal failure; Renal function test abnormal; Respiratory tract infection; Salpingo-oophoritis; Soft tissue infection; Tuberculosis; Typhoid fever; Ulcerative keratitis; Urethritis; Urethritis noninfective; Urinary tract infection",
"side_effects": "Agitation (0.011); Vulvovaginal pruritus (0.01); Dermatitis; Diarrhoea; Discomfort; Dizziness; Erythema; Fungal infection; Headache; Hyperaemia; Nausea; Pruritus; Rash; Sensation of foreign body; Vomiting; Vulvovaginal candidiasis; Vulvovaginal mycotic infection",
"atc_codes": "J01RA11; S03AA07; J01RA12; J01RA10; S01AE03; S02AA15; J01MA02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T005",
"T387",
"T408"
],
"function": [
"F0108",
"F0201",
"F020103",
"F020201",
"F0303",
"F0504",
"F060102",
"F060104"
],
"references": [
"RC04042",
"RC04166",
"RC04290",
"RC04414",
"RC04538",
"RC04726",
"RC04727",
"RC04728",
"RC04729",
"RC04730",
"RC04731",
"RC04732",
"RC04733",
"RC04734"
]
},
{
"compound_ID": "D0260",
"name": "Cromakalim",
"synonyms": "Cromakalim; (+/-)-cromakalim; 94470-67-4; CHEBI:3921; (+)-Cromakalim; (3R-trans)-Cromakalim; BRL-34915; Cromakalim, (3R-trans)-Isomer; 94535-51-0; BRL 38226; CROMAKALIM (-); CHEMBL49035; GTPL2413; SCHEMBL3312760; BDBM86251; CTK8F1492; TVZCRIROJQEVOT-UHFFFAOYSA-N; HMS3267D04; HMS3369L14; NSC_93504; AKOS030255268; KS-0000186M; CAS_94535-50-9; DB-057507; FT-0624100; C11819; BRD-A76093993-001-01-8; 3-Hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromanecarbonitrile #; 3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-carbonitrile; 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, (3R-trans)-; 2H-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H18N2O3",
"molecular_weight": "286.33",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "443423",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0261",
"name": "Cyclosporin A",
"synonyms": "cyclosporin A; cyclosporine; Ciclosporin; 59865-13-3; Cyclosporine A; Ciclosporine; Neoral; Cyclosporin; Sandimmun; Ciclosporina; Ciclosporinum; Sandimmune; Equoral; Neoplanta; Sang-35; Gengraf; Sandimmun Neoral; UNII-83HN0GTJ6D; Antibiotic S 7481F1; Consupren; Restasis; Ramihyphin A; SangCyA; 83HN0GTJ6D; MLS001333756; CHEBI:4031; CSA; S-Neoral; Cipol N; Sigmasporin Microoral; Sang 35; DSSTox_CID_365; Ciclosporine [INN-French]; Ciclosporinum [INN-Latin]; Ciclosporina [INN-Spanish]; Ciclosporin (Ciclosporin A); DSSTox_RID_75541; DSSTox_GSID_20365; SDZ-OXL 400; OL 27-400; CCRIS 1590; HSDB 6881; Abrammune; Imusporin; Optimmune; Seciera; Vekacia; DRG-0275; Papilock Mini; Arpimune ME; Zinograf ME; Sandimmune Neoral; C62H111N11O12; NSC 290193; Ciclosporina Germed; S 7481F1; CYA; SMR000058578; Cicloral (antibiotic); Debio088; 79217-60-0; Cyclosporine [USAN:USP]; Sigmasporin; Cyclokat; Mitogard; Papilock; Pulminiq; Zyclorin; CicloMulsion; CyclosporinA; Ciclosporin DT; Consupren S; NSC290193; Modusik-A; NeuroSTAT; 1cyn; 2wfj; 4jjm; Cipol-N; NCGC00016890-01; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,2; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19; (R-(R*,R*-(E)))-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl); Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl); Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl); Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]; Prestwick_731; Ciclosporin [INN]; CAS-59865-13-3; MFCD00274558; CsA & IFN.alpha.; 1c5f; 2z6w; Prestwick2_000435; Prestwick3_000435; CHEMBL160; Sang-2000; SCHEMBL3491; SCHEMBL4442; Nova-22007; Ikervis (opthalmic solution); BSPBio_000450; Cyclosporin A & IFN.alpha.; MLS000028376; MLS002153454; MLS002207033; Verkazia (opthalmic solution); Cyclosporin-A(Cyclosporine-A); BPBio1_000496; GTPL1024; DTXSID0020365; CHEBI:92233; AOB2581; ATH-002; OLO-400; CB-01-09 MMX; PMATZTZNYRCHOR-CGLBZJNRSA-N; HMS1569G12; HMS2089A09; HMS2096G12; HMS2230M14; HMS3713G12; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; (R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl); 1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]; 30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone; 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl); HY-B0579; Tox21_110667; Tox21_301849; BDBM50022815; DE-076; ST-603; Cyclosporin A, >=98.5% (TLC); AKOS015969287; Tox21_110667_1; CCG-208184; CS-2761; DB00091; EBD2126862; KS-1257; NCGC00093704-12; NCGC00164258-01; NCGC00164258-02; NCGC00164258-03; NCGC00255232-01; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; AT-12519; C042; OL-27400; SBI-0050230.P003; AB0090560; 5946-EP0930075A1; 5946-EP2289877A1; 5946-EP2292601A1; 5946-EP2292602A1; 5946-EP2292603A1; 5946-EP2292604A2; 5946-EP2292618A1; 5946-EP2293650A1; 5946-EP2298737A1; 5946-EP2298739A1; 5946-EP2298740A1; 5946-EP2298741A1; 5946-EP2298771A2; 5946-EP2301920A1; 5946-EP2301940A1; 5946-EP2308843A1; 5946-EP2308861A1; J10181; J90049; 865C133; Cyclosporin A, VETRANAL(TM), analytical standard; Q367700; SR-01000780563; Q-200913; SR-01000780563-3; BRD-K03222093-001-01-8; BRD-K13533483-001-03-0; Ciclosporin, European Pharmacopoeia (EP) Reference Standard; Cyclosporin A, from Tolypocladium inflatum, >=95% (HPLC), solid; Cyclosporine, United States Pharmacopeia (USP) Reference Standard; Ciclosporin for system suitability, European Pharmacopoeia (EP) Reference Standard; Cyclosporin A, from Tolypocladium inflatum, BioReagent, for molecular biology, >=95%; Cyclosporine, Pharmaceutical Secondary Standard; Certified Reference Material; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,1; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; 30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone",
"trade_name": "Neoral, Sandimmune,",
"abbrev_name": "CsA",
"description": "a typical inhibitor of MPT; calcineurin inhibitor; immunosuppresant",
"molecular_formula": "C62H111N11O12",
"molecular_weight": "1202.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5284373",
"classification": "S; L",
"indications": "",
"side_effects": "",
"atc_codes": "L04AD01; S01XA18",
"group": "Drug",
"drug_type": "",
"target": [
"T118",
"T387"
],
"function": [
"F01",
"F0101",
"F010401",
"F0108",
"F020102",
"F02110302",
"F021201",
"F030801",
"F0504"
],
"references": [
"RC00475",
"RC00479",
"RC03694",
"RC03726",
"RC03861",
"RC03863",
"RC03865",
"RC03867",
"RC03869",
"RC04652",
"RC04666",
"RC04681"
]
},
{
"compound_ID": "D0262",
"name": "Diazoxide",
"synonyms": "diazoxide; 364-98-7; Proglycem; Eudemine; Hyperstat; Hypertonalum; Proglicem; Dizoxide; Mutabase; Diazossido; 7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; Sch-6783; Diazoxido; Diazoxidum; Sch 6783; Diazossido [Italian]; SRG-95213; Diazossido [DCIT]; SRG 95213; Diazoxidum [INN-Latin]; Diazoxido [INN-Spanish]; C8H7ClN2O2S; 2H-1,2,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide; UNII-O5CB12L4FN; NSC 76130; CHEBI:4495; EINECS 206-668-1; NSC 64198; NSC-64198; O5CB12L4FN; MLS000028459; 7-Cloro-3-metil-2H-1,2,4-benzotiodiazina-1,1-diossido; GDLBFKVLRPITMI-UHFFFAOYSA-N; 7-Cloro-3-metil-2H-1,2,4-benzotiodiazina-1,1-diossido [Italian]; NSC64198; NSC76130; 3-methyl-7-chloro-1,2,4-benzothiadiazine 1,1-dioxide; 7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine1,1-dioxide; NCGC00015380-09; CAS-364-98-7; SMR000058392; 7-chloro-3-methyl-4H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide; DSSTox_CID_2914; DSSTox_RID_76786; DSSTox_GSID_22914; 7-chloro-3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide; Aroglycem; 7-chloro-3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide; Hyperstat (TN); Diazoxide [USAN:INN:BAN]; SR-01000075314; 7-Chloro-3-methyl-2H-1,4-benzothiadiazine 1,1-dioxide; Diazoxide (JAN/USP/INN); Eudimine; 2H-1,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide; 7-chloro-3-methyl-2H-1?^{6},2,4-benzothiadiazine 1,1-dioxide; Eudemine injection; Prestwick_163; Diazoxide [USAN:USP:INN:BAN:JAN]; Tocris-0964; Opera_ID_608; Prestwick0_000087; Prestwick1_000087; Prestwick2_000087; Prestwick3_000087; Spectrum3_000735; Spectrum4_001248; Lopac-D-9035; CHEMBL181; D 9035; CBiol_001750; Lopac0_000404; SCHEMBL41254; BSPBio_000014; BSPBio_001307; BSPBio_002290; KBioGR_000027; KBioGR_001776; KBioSS_000027; MLS001076071; MLS001424164; SPECTRUM2300206; SPBio_001953; BPBio1_000016; GTPL2409; CHEMBL1518123; DTXSID7022914; BDBM86248; KBio2_000027; KBio2_002595; KBio2_005163; KBio3_000053; KBio3_000054; KBio3_001510; AOB5782; Bio1_000036; Bio1_000525; Bio1_001014; Bio2_000027; Bio2_000507; HMS1361B09; HMS1568A16; HMS1791B09; HMS1922L22; HMS1989B09; HMS2051P20; HMS2089L04; HMS2093N12; HMS2095A16; HMS2234B23; HMS3261A10; HMS3267I11; HMS3371L13; HMS3393P20; HMS3402B09; HMS3411L18; HMS3675L18; HMS3712A16; Pharmakon1600-02300206; 2H-1,2, 4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide; 7-Chloro-3-methyl-1lambda~4~,2,4-benzothiadiazin-1-ol 1-oxide; BCP26107; HY-B1140; NSC_3019; ZINC3872277; Tox21_110132; Tox21_500404; ACM364987; BDBM50237612; BG0437; KC-115; MFCD00078578; NSC-76130; NSC759574; s4630; AKOS015896340; AKOS024458715; Tox21_110132_1; ACN-054388; CCG-101062; CCG-204497; CS-4745; DB01119; FCH1327708; KS-1444; LP00404; MCULE-5031397425; NC00312; NSC-759574; IDI1_033777; KS-000010A1; NCGC00015380-01; NCGC00015380-02; NCGC00015380-03; NCGC00015380-04; NCGC00015380-05; NCGC00015380-06; NCGC00015380-07; NCGC00015380-08; NCGC00015380-10; NCGC00015380-11; NCGC00015380-12; NCGC00015380-13; NCGC00022882-03; NCGC00024907-01; NCGC00024907-02; NCGC00024907-03; NCGC00024907-04; NCGC00024907-05; NCGC00024907-06; NCGC00024907-07; NCGC00024907-08; NCGC00261089-01; CAS_364-98-7; CC-26456; CPD000058392; LS-40410; SAM001246872; SC-83321; DB-048966; B6526; D5402; EU-0100404; FT-0603087; Z3125; VU0239714-6; 2270-EP2281815A1; 2270-EP2295550A2; 2270-EP2301933A1; 2270-EP2308838A1; 2270-EP2311827A1; C06949; D00294; EN300-122611; 32273-EP2281815A1; 32273-EP2298415A1; 32273-EP2301933A1; 32273-EP2305640A2; 32273-EP2311827A1; 364D987; A823275; C-13401; Q420009; SR-01000075314-1; SR-01000075314-3; SR-01000075314-4; SR-01000075314-6; BRD-K73109821-001-05-2; BRD-K73109821-001-10-2; 7-chloro-3-methyl-1,2,4-benzothiadiazine,1,1-dioxide; Diazoxide, European Pharmacopoeia (EP) Reference Standard; 4H-1,2,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide; 7-chloro-3-methyl-4H-1|E?,2,4-benzothiadiazine-1,1-dione; Diazoxide, United States Pharmacopeia (USP) Reference Standard; 7-chloranyl-3-methyl-4H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide; 7-chloro-3-methyl-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide; 7-chloro-3-methyl-4H-1$l^{6},2,4-benzothiadiazine-1,1-dione",
"trade_name": "Proglycem",
"abbrev_name": "",
"description": "benzothiadiazine derivative; peripheral vasodilator; treat low blood sugar",
"molecular_formula": "C8H7ClN2O2S",
"molecular_weight": "230.67",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Proglycem is extensively bound (more than 90%) to serum proteins, and is excreted in the kidneys.",
"protein_binding": "Very high (more than 90%) to serum proteins.",
"half_life": "28 ±8.3 hours in normal adults.",
"absorption": "Readily absorbed following oral administration.",
"cid": "3019",
"classification": "G; V; C",
"indications": "Adenoma benign; Blood insulin increased; Blood pressure increased; Cardiac failure congestive; Cerebral haemorrhage; Diabetes mellitus; Haemoglobin; Haemorrhage; Hyperinsulinism; Hyperplasia; Hypertensive crisis; Hypertensive encephalopathy; Hypoglycaemia; Hypotension; Malignant hypertension; Nephritis; Renal failure; Renal impairment; Vascular resistance systemic",
"side_effects": "",
"atc_codes": "V03AH01; C02DA01; G01AE10",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T181",
"T208",
"T408"
],
"function": [
"F0108",
"F0201",
"F02110304",
"F0303"
],
"references": [
"RC03469",
"RC03470",
"RC03471",
"RC04051",
"RC04175",
"RC04299",
"RC04423",
"RC04547"
]
},
{
"compound_ID": "D0263",
"name": "Biochanin A",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H12O5",
"molecular_weight": "284.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5280373",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T019"
],
"function": [
"F020103"
],
"references": [
"RC01453"
]
},
{
"compound_ID": "D0264",
"name": "Etomoxir",
"synonyms": "ETOMOXIR; 124083-20-1; R-(+)-Etomoxir; UNII-MSB3DD2XP6; MSB3DD2XP6; 2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester, (2R)-; Etomoxir [INN]; Rac-Etomoxir Ethyl Ester; C17H23ClO4; SCHEMBL49075; GTPL9089; CHEMBL2051959; CHEBI:95011; BCP07911; ZINC1851171; 3994AH; BDBM50237625; AKOS028109213; Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester, (2R)-; CS-0325; NCGC00378789-04; AS-56541; HY-50202; FT-0668432; A11415; W-5482; BRD-K32405725-001-01-0; Q27077245; Ethyl (+)-(R)-2-(6-(p-chlorophenoxy)hexyl)glycidate; ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate",
"trade_name": "",
"abbrev_name": "",
"description": "irreversible inhibitor of carnitine palmitoyltransferase-1 (CPT-1); direct agonist of PPARalpha",
"molecular_formula": "C17H23ClO4",
"molecular_weight": "326.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9840324",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T021",
"T021001"
],
"function": [
"F020601",
"F02060101",
"F02060201",
"F05"
],
"references": [
"RC00966",
"RC03673",
"RC03774",
"RC05032",
"RC05046"
]
},
{
"compound_ID": "D0265",
"name": "Glibenclamide",
"synonyms": "Glibenclamide; glyburide; 10238-21-8; Glybenclamide; Micronase; Diabeta; Glynase; Daonil; Euglucon; Maninil; Semi-daonil; Apo-Glibenclamide; Euglucon 5; Azuglucon; Bastiverit; Benclamin; Betanase; Duraglucon; Euglucan; Euglykon; Glibenil; Glucolon; Neogluconin; Orabetic; Prodiabet; Renabetic; Yuglucon; Dibelet; Gilemal; Glibens; Glibil; Glimel; Glimide; Humedia; Libanil; Suraben; Tiabet; Adiab; Glybenzcyclamide; Melix; Pira; Med-Glionil; Gewaglucon; Glibenbeta; Glibenclamida; Glibenclamidum; Glucohexal; Glucoremed; Hexaglucon; Lisaglucon; Normoglucon; Praeciglucon; Calabren; Cytagon; Euclamin; Glamide; Glibesyn; Glibetic; Gliboral; Glidiabet; Glisulin; Glitisol; Glubate; Glucobene; Glucomid; Glucoven; Glycomin; Lederglib; Miglucan; Debtan; Gliban; Gliben; Glibet; Glicem; Gluben; Glyben; Nadib; Sugril; Novo-Glyburide; Glibenclamid AL; Gen-Glybe; Norglicem 5; Betanese 5; Glibenclamid Fabra; Glibenclamid Basics; Glibenclamid-Cophar; Glibenclamid Heumann; Semi-Euglucon; Glibenclamid Genericon; Hemi-Daonil; Glibenclamid-Ratiopharm; Glibenclamidum [INN-Latin]; Glibenclamida [INN-Spanish]; HB 419; 5-Chloro-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenethyl)-2-methoxybenzamide; Semi-Gliben-Puren N; GBN 5; Glyburide (micronized); glyburide (glibenclamide); UR 606; UNII-SX6K58TVWC; 1-(p-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea; C23H28ClN3O5S; HB-419; 1-((p-(2-(5-Chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea; 5-Chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide; U 26452; EINECS 233-570-6; SX6K58TVWC; CHEMBL472; BRN 2230085; N-(4-(2-(5-Chloro-2-methoxybenzamido)ethyl)phenylsulfonyl)-N'-cyclohexylurea; MLS000069721; CHEBI:5441; 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide; Urea, 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexyl-; MFCD00056625; Benzamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-; NCGC00015467-11; Abbenclamide; Diabiphage; Glibadone; SMR000058229; CAS-10238-21-8; Glibenclamid Riker M.; 5-Chloro-N-[4-(cyclohexylureidosulfonyl)phenethyl]-2-methoxybenzamide; Euglucon N; Urea, 1-((p-(2-(chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexyl-; 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide; 5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-methoxybenzamide; DSSTox_CID_17237; DSSTox_RID_79313; N-(4-(beta-(2-Methoxy-5-chlorbenzamido)-aethyl)-benzolsulfonyl)-N'-cyclohexyl-harnstoff; DSSTox_GSID_37237; Benzamide, 5-chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-; Micronized glyburide; Glyburide [USAN]; W-108874; Glycron; 1-[[p-[2-(5-Chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-cyclohexylurea; 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide; Glyburide (USP); Micronase (TN); 1-{4-[2-(5-chloro-2-methoxybenzamido)ethyl]benzenesulfonyl}-3-cyclohexylurea;1-{4-[2-(5-chloro-2-methoxybenzamido)ethyl]benzenesulfonyl}-3-cyclohexylurea; Diabeta (TN); Glynase (TN); GIBENCLAMIDE; Glibenclamid Riker M; SR-01000000196; Glyburide [USAN:USP]; HB-420; Amglidia; Delmide; 5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide; Glyburide(Diabeta); Glibenclamide,(S); GBM; Prestwick_569; Glibenclamide B.P.; Glyburide (Diabeta); Glibenclamide [INN]; RP-1127; Spectrum_000250; Tocris-0911; Opera_ID_801; 23047-14-5; Prestwick0_000316; Prestwick1_000316; Prestwick2_000316; Prestwick3_000316; Spectrum2_001816; Spectrum3_001327; Spectrum4_001199; Spectrum5_001631; Lopac-G-0639; ACMC-20a66i; Probes1_000431; Probes2_000378; UPCMLD-DP006; G 0639; Glibenclamide (JP17/INN); CBiol_001790; Lopac0_000499; Oprea1_764617; SCHEMBL22009; U-26452; BSPBio_000312; BSPBio_001351; BSPBio_003053; KBioGR_000071; KBioGR_001897; KBioSS_000071; KBioSS_000730; MLS001077262; BIDD:GT0239; DivK1c_000481; SPECTRUM2300229; SPBio_001831; SPBio_002531; BPBio1_000344; GTPL2414; DTXSID0037237; UPCMLD-DP006:001; CTK8B7917; HMS501I03; KBio1_000481; KBio2_000071; KBio2_000730; KBio2_002639; KBio2_003298; KBio2_005207; KBio2_005866; KBio3_000141; KBio3_000142; KBio3_002273; AOB6214; SYN3026; Glybenclamide, >=99% (HPLC); NINDS_000481; ZNNLBTZKUZBEKO-UHFFFAOYSA-N; Bio1_000076; Bio1_000565; Bio1_001054; Bio2_000071; Bio2_000551; HMS1361D13; HMS1568P14; HMS1791D13; HMS1922L08; HMS1989D13; HMS2089L06; HMS2093P04; HMS2095P14; HMS3259O12; HMS3261D19; HMS3267A15; HMS3402D13; HMS3411F16; HMS3428D15; HMS3651E17; HMS3675F16; HMS3712P14; Pharmakon1600-02300229; ZINC537805; BCP05327; Tox21_110158; Tox21_300758; Tox21_500499; ANW-58936; BDBM50012957; BG0207; CCG-39618; GP8701; HD 419; NSC759618; SBB057426; STK362992; AKOS001487495; N-p-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzenesulfonyl-N'-cyclohexylurea; Tox21_110158_1; BCP9000729; CS-1075; DB01016; KS-5326; LP00499; MCULE-2351642942; NC00566; NSC-759618; SB17414; IDI1_000481; IDI1_033821; Glibenclamide 1.0 mg/ml in Acetonitrile; NCGC00015467-01; NCGC00015467-02; NCGC00015467-03; NCGC00015467-04; NCGC00015467-05; NCGC00015467-06; NCGC00015467-07; NCGC00015467-08; NCGC00015467-09; NCGC00015467-10; NCGC00015467-12; NCGC00015467-13; NCGC00015467-14; NCGC00015467-15; NCGC00015467-16; NCGC00015467-17; NCGC00015467-18; NCGC00015467-20; NCGC00015467-36; NCGC00016689-01; NCGC00023447-02; NCGC00023447-04; NCGC00023447-05; NCGC00023447-06; NCGC00023447-07; NCGC00023447-08; NCGC00023447-09; NCGC00023447-10; NCGC00023447-11; NCGC00023447-12; NCGC00254662-01; NCGC00261184-01; 5-Chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]-amino]sulfonyl]phenyl]-ethyl]-2-methoxybenzamide; CPD000058229; HY-15206; SAM002564212; SC-17437; ST024780; SBI-0050483.P003; AB0012611; AB2000243; Glyburide, meets USP testing specifications; LS-159295; RT-000122; AB00051949; EU-0100499; FT-0601608; G-150; G0382; S1716; SW195828-5; A19539; C07022; D00336; J10021; W-5054; 78637-EP2270001A1; 78637-EP2270011A1; 78637-EP2272825A2; 78637-EP2272841A1; 78637-EP2275414A1; 78637-EP2287165A2; 78637-EP2287166A2; 78637-EP2292620A2; 78637-EP2298750A1; 78637-EP2298776A1; 78637-EP2298779A1; 78637-EP2301923A1; 78637-EP2301936A1; 78637-EP2305648A1; 78637-EP2308847A1; AB00051949-16; AB00051949-17; AB00051949_18; AB00051949_19; C-22898; Q420626; SR-01000000196-2; SR-01000000196-4; SR-01000000196-5; SR-01000000196-6; SR-01000000196-8; U-26,452; BRD-K36927236-001-06-0; BRD-K36927236-001-17-7; Z277540138; Glybenclamide, European Pharmacopoeia (EP) Reference Standard; Glyburide, United States Pharmacopeia (USP) Reference Standard; 1-((p-(2-(5-Chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexyl urea; 5-Chloro-N-[4-(3-cyclohexylureidosulfonyl)phenethyl]-2-methoxybenzamide; 5-Chloro-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)-phenethyl)-2-methoxybenzamide; 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide.; 5-chloro-N-[4-({[(cyclohexylamino)carbonyl]amino}sulfonyl)phenethyl]-2-methoxybenzamide; Glibenclamide for peak identification, European Pharmacopoeia (EP) Reference Standard; Glyburide (Glibenclamide), Pharmaceutical Secondary Standard; Certified Reference Material; N-(4-(.beta.-(2-Methoxy-5-chlorbenzamido)-aethyl)-benzolsulfonyl)-N'-cyclohexyl-harnstoff; N1-[4-({[(cyclohexylamino)carbonyl]amino}sulfonyl)phenethyl]-5-chloro-2-methoxybenzamide; (5-chloro-2-methoxyphenyl)-N-[2-(4-{[(cyclohexylamino)carbonylamino]sulfonyl}p henyl)ethyl]carboxamide; 5-Chloro-N-(2-[4-(([(cyclohexylamino)carbonyl]amino)sulfonyl)phenyl]ethyl)-2-methoxybenzamide #; 5-Chloro-N-[2-[4-[[[(Cylcohexylamino)carbonyl]amino]sulphonyl]phenyl]ethyl]-2-methoxybenzamide; N-[(4-{2-[(5-chloro-2-methoxyphenyl)carbonylamino]ethyl}phenyl)sulfonyl](cyclo hexylamino)carboxamide",
"trade_name": "Diabeta, Flycron",
"abbrev_name": "glyburide",
"description": "second generation sulfonylurea; treat diabetes mellitus type II; Glyburide stimulates insulin secretion through the closure of ATP-sensitive potassium channels on beta cells",
"molecular_formula": "C23H28ClN3O5S",
"molecular_weight": "494",
"state": "solid",
"clearance": "78 ml/hr/kg in healthy adults. Clearance may be substantially decreased in those with severe renal impairment.",
"volume_of_distribution": "Steady state V<sub>d</sub>=0.125 L/kg; V<sub>d</sub> during elimination phase=0.155 L/kg.",
"route_of_elimination": "Glyburide is excreted as metabolites in the bile and urine, approximately 50% by each route.\nThis dual excretory pathway is qualitatively different from that of other sulfonylureas, which are excreted primarily in the urine.",
"protein_binding": "Unchanged drug is ~99% bound to serum proteins; 4-trans-hydroxyglyburide is greater than 97% bound to serum proteins. Protein binding is primarily nonionic making glyburide and is less likely to displace or be displaced by drugs that bind via an ionic mechanism.",
"half_life": "1.4-1.8 hours (unchanged drug only); 10 hours (metabolites included). Duration of effect is 12-24 hours. The half-life of glyburide appears to be unaffected in those with a creatinine clearance of greater than 29 ml/min/1.73m<sup>2</sup>.",
"absorption": "Significant absorption within 1 hour and peak plasma levels are reached in 2 to 4 hours. Onset of action occurs within one hour.",
"cid": "3488",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A10BB01",
"group": "Drug",
"drug_type": "",
"target": [
"T208"
],
"function": [
"F02110304"
],
"references": [
"RC03474",
"RC03476"
]
},
{
"compound_ID": "D0266",
"name": "Glimepiride",
"synonyms": "glimepiride; 93479-97-1; Amaryl; Glimepiridum; Glimepirida; Amarel; Glimepirid; Endial; Hoe-490; Glimepride; cis-Glimepiride; Glimepiridum [Latin]; HOE 490; Glimepirida [Spanish]; Glista OD; GLIMPERIDE; UNII-24T6XIR2MZ; CCRIS 7083; CHEBI:5383; 684286-46-2; UNII-6KY687524K; 1-((p-(2-(3-Ethyl-4-methyl-2-oxo-3-pyrroline-1-carboxamido)ethyl)phenyl)sulfonyl)-3-(trans-4-methylcyclohexyl)urea; BRN 5365754; 24T6XIR2MZ; 4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide; 6KY687524K; NCGC00016960-03; CPD000466368; Roname; CAS-93479-97-1; DSSTox_CID_20675; DSSTox_RID_79534; DSSTox_GSID_40675; 3-ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; Glymepirid; Glorion; Glemax; Glimer; Solosa; Glimepiride, cis-; 1H-Pyrrole-1-carboxamide, 2,5-dihydro-3-ethyl-4-methyl-N-(2-(4-(((((4-methylcyclohexyl)amino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-oxo-, trans-; 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-(2-(4-(((((4-methylcyclohexyl)amino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-oxo-, trans-; 3-Ethyl-4-Methyl-N-[2-(4-{[(Cis-4-Methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-Oxo-2,5-Dihydro-1h-Pyrrole-1-Carboxamide; SMR000466368; Amaryl (TN); Glimepiride [USAN:BAN:INN]; SR-05000001508; gimepiride; Niddaryl; Sugral; HOE490; Vitaimin E; Glimepiride,(S); 3-ethyl-4-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide; Glimepiride [USAN:USP:INN:BAN]; Prestwick0_000651; Prestwick1_000651; Prestwick2_000651; Prestwick3_000651; CHEMBL1481; Oprea1_382896; SCHEMBL16084; SCHEMBL16086; BSPBio_000681; MLS000759495; MLS001076674; MLS001401419; MLS003915622; MLS006011260; SPBio_002602; BPBio1_000751; CHEMBL149223; GTPL6820; SCHEMBL8738802; Glimepiride (JP17/USP/INN); DTXSID5040675; SCHEMBL14371714; SCHEMBL14965363; CHEBI:92609; CTK8E7555; AOB5663; WIGIZIANZCJQQY-RUCARUNLSA-N; WIGIZIANZCJQQY-UHFFFAOYSA-N; HMS1570C03; HMS2052L03; HMS2090K18; HMS2097C03; HMS2235L07; HMS3269A09; HMS3372O07; HMS3394L03; HMS3413K06; HMS3654F17; HMS3677K06; HMS3714C03; Pharmakon1600-01504915; ZINC537791; BCP05331; HY-B0104; Tox21_110713; AC-476; BDBM50237590; MFCD00878417; NSC759809; s1344; STL451059; STL453194; AKOS015894919; AKOS015969663; Glimepiride, >=98% (HPLC), solid; Tox21_110713_1; ZINC100001976; ZINC100070954; AB07644; AT-6093; BCP9000728; CCG-101156; CS-1844; DB00222; KS-5238; NC00406; NSC-759809; NCGC00016960-01; NCGC00016960-02; NCGC00016960-04; NCGC00016960-05; NCGC00016960-07; NCGC00161404-01; NCGC00161404-02; NCGC00181757-01; NCGC00371061-06; 1-{[4-(2-{[(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]amino}ethyl)phenyl]sulfonyl}-3-(trans-4-methylcyclohexyl)urea; 3-ethyl-4-methyl-n-(4-(n-((1r,4r)-4-methylcyclohexylcarbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-dihydro; AK164454; SAM001246710; SC-13775; SC-46287; SMR001550123; AB0073063; LS-136752; TX-017626; AB00513874; FT-0626713; FT-0668978; FT-0696605; G0395; SW196369-4; C07669; D00593; 46931-EP2269989A1; 46931-EP2270011A1; 46931-EP2272825A2; 46931-EP2272841A1; 46931-EP2275414A1; 46931-EP2287165A2; 46931-EP2287166A2; 46931-EP2292620A2; 46931-EP2295406A1; 46931-EP2295422A2; 46931-EP2298769A1; 46931-EP2298772A1; 46931-EP2298776A1; 46931-EP2301936A1; 46931-EP2305648A1; 46931-EP2308839A1; 46931-EP2308847A1; 46931-EP2308878A2; 46931-EP2311822A1; AB00513874-06; AB00513874-08; AB00513874-09; AB00513874_10; AB00513874_11; 479G971; Q425027; Q-201158; SR-05000001508-1; SR-05000001508-2; SR-05000001508-3; BRD-K34776109-001-03-4; BRD-K42693031-001-01-8; Q27253874; Glimepiride, British Pharmacopoeia (BP) Reference Standard; Glimepiride, European Pharmacopoeia (EP) Reference Standard; 3-ethyl-4-methyl-N-(4-(N-((1r,4r)-4-methylcyclohexylcarbamoyl); Glimepiride, United States Pharmacopeia (USP) Reference Standard; sulfamoyl)phenethyl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; Glimepiride for system suitability, European Pharmacopoeia (EP) Reference Standard; 1-[[4-[2-[[(3-Ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulphonyl]-3-(cis-4-methylcyclohexyl)urea (cis-Glimepiride); 3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxamide; 3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-methylcyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-ethyl-4-methyl-N-(4-(N-(((1r,4r)-4-methylcyclohexyl)carbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-ETHYL-4-METHYL-N-(4-(N-((1R,4R)-4-METHYLCYCLOHEXYLCARBAMOYL)SULFAMOYL)PHENETHYL)-2-OXO-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE; 3-ethyl-4-methyl-N-(4-(N-((4-methylcyclohexyl)carbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-ethyl-4-methyl-N-(4-(N-((trans-4-methylcyclohexyl)carbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-ethyl-4-methyl-N-[2-(4-{[(4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-Ethyl-4-methyl-N-[2-[4-[[3-(4-methylcyclohexyl)ureido]sulfonyl]phenyl]ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-Ethyl-4-methyl-N-{2-[4-({[(1r,4r)-4-methylcyclohexyl]carbamoyl}sulfamoyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide; N'-{[4-(2-{[(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]amino}ethyl)phenyl]sulfonyl}-N-(4-methylcyclohexyl)carbamimidic acid; N-[4-[2-(3-ethyl-4-methyl-2-oxo-3-pyrroline-1-carboxamido)-ethyl]-benzenesulfonyl]-N'-4-methylcyclohexylurea; trans-3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(4-methyl cyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxamide; Trans-3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxamide; trans-3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxyamide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H34N4O5S",
"molecular_weight": "490.6",
"state": "solid",
"clearance": "A single-dose, crossover, dose-proportionality (1, 2, 4, and 8 mg) study in normal subjects and from a single- and multiple-dose, parallel, dose proportionality (4 and 8 mg) study in patients with type 2 diabetes (T2D) were performed. In these studies, the total body clearance was 52.1 +/- 16.0 mL/min, 48.5 +/- 29.3 mL/min in patients with T2D given a single oral dose, and 52.7 +/- 40.3 mL/min in patients with T2D given multiple oral doses [F4540]. Following intravenous dosing in healthy subjects, the total body clearance was 47.8 mL/min [FDA Label].",
"volume_of_distribution": "Following intravenous dosing in healthy subjects, the volume of distribution was 8.8 L (113 mL/kg) [FDA Label].",
"route_of_elimination": "Following oral administration of glimepiride in healthy male subjects, approximately 60% of the total radioactivity was recovered in the urine in 7 days, with M1 and M2 accounting for 80-90% of the total radioactivity recovered in the urine. The ratio of M1 to M2 was approximately 3:2 in two subjects and 4:1 in one subject [FDA Label]. Approximately 40% of the total radioactivity was recovered in feces where M1 and M2 accounted for about 70% of the radioactivity and a ratio of M1 to M2 being 1:3. No parent drug was recovered from urine or feces [FDA Label].",
"protein_binding": "Plasma protein binding of glimepiride is greater than 99.5% [FDA Label].",
"half_life": "The elimination half-life of glimepiride is approximately 5 to 8 hours [A177715], which can increase up to 9 hours following multiple doses [A177709].",
"absorption": "Glimepiride is completely absorbed after oral administration within 1 hour of administration with a linear pharmacokinetics profile [A177703]. Following administration of a single oral dose of glimepiride in healthy subjects and with multiple oral doses with type 2 diabetes, the peak plasma concentrations (Cmax) were reached after 2 to 3 hours post-dose [FDA Label]. Accumulation does not occur after multiple doses [A177703]. When glimepiride was given with meals, the time to reach Cmax was increased by 12% while the mean and AUC (area under the curve) were decreased by 8 to 9%, respectively [F4540]. In a pharmacokinetic study of Japanese patients with T2DM, Cmax value in once-daily dose was higher than those in twice-daily doses [A177724]. The absolute bioavailability of glimepiride is reported to be complete following oral administration [A177721].",
"cid": "3476",
"classification": "A",
"indications": "Blood glucose decreased; Coma; Diabetic ketoacidosis; Hyperglycaemia; Hypoglycaemia; Nephropathy; Neuropathy peripheral; Obesity; Retinal disorder; Type 1 diabetes mellitus; Type 2 diabetes mellitus; Weight decreased",
"side_effects": "Asthenia; Dizziness; Headache; Influenza; Injury; Nausea",
"atc_codes": "A10BD04; A10BD06; A10BB12",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04070",
"RC04194",
"RC04318",
"RC04442",
"RC04566"
]
},
{
"compound_ID": "D0267",
"name": "Glipizide",
"synonyms": "glipizide; 29094-61-9; Glucotrol; Glydiazinamide; Melizide; Glibenese; Glucozide; Glupizide; Sucrazide; Dipazide; Glupitel; Mindiab; Minidiab; Minodiab; Napizide; Ozidia; Glucotrol XL; Glibetin; Glucolip; Aldiab; Digrin; Glican; Glidiab; Glipid; Minidab; Glyde; Gluco-Rite; Glipizidum; Glipizida; Glide; Glipizidum [INN-Latin]; Glipizida [INN-Spanish]; Metaglip; CP 28720; K 4024; K-4024; CP-28720; TK 1320; C21H27N5O4S; CP 28,720; UNII-X7WDT95N5C; Glipizide (Glucotrol); EINECS 249-427-6; BRN 0903495; CHEMBL1073; X7WDT95N5C; 1-Cyclohexyl-3-((p-(2-(5-methylpyrazinecarboxamido)ethyl)phenyl)sulfonyl)urea; MLS000069386; N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide; CHEBI:5384; Glidiazinamide; Glypidizine; N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenethyl)-5-methylpyrazine-2-carboxamide; N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-5-methylpyrazine-2-carboxamide; N-(4-(beta-(5-Methylpyrazine-2-carboxamido)ethyl)benzenesulphonyl)-N'-cyclohexylurea; Pyrazinecarboxamide, N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-5-methyl-; NCGC00015462-07; SMR000058455; CP-28,720; CAS-29094-61-9; 1-cyclohexyl-3-[[p-[2-(5-methylpyrazinecarboxamido)ethyl]phenyl]sulfonyl]urea; DSSTox_CID_20676; DSSTox_RID_79535; Urea, 1-cyclohexyl-3-((p-(2-(5-methylpyrazinecarboxamido)ethyl)phenyl)sulfonyl)-; DSSTox_GSID_40676; W-107005; 1-cyclohexyl-3-({p-[2-(5-methylpyrazinecarboxamido)ethyl]phenyl}sulfonyl)urea; N-{4-[beta-(5-methylpyrazine-2-carboxamido)ethyl]benzenesulphonyl}-N'-cyclohexylurea; Glucotrol (TN); 29094-66-4; Pyrazinecarboxamide, N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-5-methyl-; Glipizide [USAN:BAN:INN]; Glipizide (USP/INN); SR-01000000010; Glipizibe; Glipizide, solid; N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-5-methylpyrazine-2-carboxamide; Glipizide [USAN:USP:INN:BAN]; glipizide/glucotrol; Glipizide,(S); Prestwick_242; Glipizide(Glucotrol); MFCD00072159; Glipizide, 98+%; KS-1068; Metaglip (Salt/Mix); Lopac-G-117; Opera_ID_1908; Prestwick0_000131; Prestwick1_000131; Prestwick2_000131; Prestwick3_000131; G-117; CBiol_001788; Lopac0_000621; SCHEMBL17094; BSPBio_000202; BSPBio_001349; KBioGR_000069; KBioSS_000069; MLS001148176; BIDD:GT0476; SPBio_002141; BPBio1_000224; GTPL6821; DTXSID0040676; CTK8B3212; KBio2_000069; KBio2_002637; KBio2_005205; KBio3_000137; KBio3_000138; ZJJXGWJIGJFDTL-UHFFFAOYSA-N; Bio1_000074; Bio1_000563; Bio1_001052; Bio2_000069; Bio2_000549; HMS1361D11; HMS1568K04; HMS1791D11; HMS1989D11; HMS2089C21; HMS2093J09; HMS2095K04; HMS2233N11; HMS3259K12; HMS3261N04; HMS3369L12; HMS3402D11; HMS3655G04; HMS3712K04; Pharmakon1600-01505433; ZINC537795; BCP09195; HY-B0254; Tox21_110156; Tox21_301834; Tox21_500621; ANW-41980; BBL028143; BDBM50012956; BG0209; NSC759120; s1715; STK631952; AKOS005564405; N-[4-(3-Cyclohexylureidosulfonyl)phenethyl]-5-methyl-2-pyrazinecarboxamide; Tox21_110156_1; API0002842; CCG-204710; CS-2239; DB01067; LP00621; MCULE-5142805548; NC00564; NSC-759120; IDI1_033819; N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-pyrazine-2-carboxamide; NCGC00015462-01; NCGC00015462-02; NCGC00015462-03; NCGC00015462-04; NCGC00015462-05; NCGC00015462-06; NCGC00015462-08; NCGC00015462-09; NCGC00015462-10; NCGC00015462-11; NCGC00015462-12; NCGC00015462-14; NCGC00016802-01; NCGC00023748-03; NCGC00023748-04; NCGC00023748-05; NCGC00023748-06; NCGC00023748-07; NCGC00255522-01; NCGC00261306-01; AC-15789; CC-28982; CPD000058455; SAM002564210; SC-13933; SBI-0050603.P002; AB0012143; LS-159679; TC-063559; CP 28720;K 4024; EU-0100621; FT-0626714; FT-0659737; G0369; ST50826363; SW196549-3; D00335; 094G619; C-22417; Q3108899; SR-01000000010-2; SR-01000000010-5; BRD-K12219985-001-04-8; BRD-K12219985-001-15-4; Z1880962274; Glipizide, European Pharmacopoeia (EP) Reference Standard; Glipizide, United States Pharmacopeia (USP) Reference Standard; Glipizide, Pharmaceutical Secondary Standard; Certified Reference Material; 1-cyclohexyl-3-(4-(2-(2-methylpyrazine-5-carboxamido)ethyl)phenylsulfonyl)urea; 1-Cyclohexyl-3-{{p=[2-[5-methylpyrazine-carboxamido)-ethyl]phenyl}sulphonyl}urea; N-(4-(.beta.-(5-Methylpyrazine-2-carboxamido)ethyl)benzenesulphonyl)-N'-cyclohexylurea; N-(2-[4-(([(Cyclohexylamino)carbonyl]amino)sulfonyl)phenyl]ethyl)-5-methyl-2-pyrazinecarboxamide; N-[2-(4-{[(cyclohexylamino)carbonylamino]sulfonyl}phenyl)ethyl](5-methylpyrazi n-2-yl)carboxamide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H27N5O4S",
"molecular_weight": "445.5",
"state": "solid",
"clearance": "The mean total body clearance of glipizide was approximately 3 L/hr following administration of single intravenous doses in patients with type 2 diabetes mellitus.[label]",
"volume_of_distribution": "The mean volume of distribution was approximately 10 L following administration of single intravenous doses in patients with type 2 diabetes mellitus.[label] In mice and rat studies, the presence of the drug and its metabolites was none to minimal in the fetus of pregnant female animals.[L6745] Other sulfonylurea drugs were shown to cross the placenta and enter breast milk [T28] thus the potential risk of glipizide in fetus or infants cannot be excluded.",
"route_of_elimination": "Glipizide is mainly eliminated by hepatic biotransformation, where less than 10% of the initial dose of the drug can be detected in the urine and feces as unchanged glipizide. About 80% of the metabolites of glipizide is excreted in the urine while 10% is excreted in the feces.[label]",
"protein_binding": "Glipizide is about 98-99% bound to serum proteins, with albumin being the main plasma protein.[label]",
"half_life": "The mean terminal elimination half-life of glipizide ranged from 2 to 5 hours after single or multiple doses in patients with type 2 diabetes mellitus.[label]",
"absorption": "Gastrointestinal absorption of glipizide is uniform, rapid, and essentially complete.[A179485] The absolute bioavailability of glipizide in patients with type 2 diabetes receiving a single oral dose was 100%. The maximum plasma concentrations are expected to be reached within 6 to 12 hours following initial dosing. The steady-state plasma concentrations of glipizide from extended-release oral formulations are maintained over the 24-hour dosing interval.[label] In healthy volunteers, the absorption of glipizide was delayed by the presence of food but the total absorption was unaffected.[L6745]",
"cid": "3478",
"classification": "A",
"indications": "Blood glucose decreased; Diabetic retinopathy; Glucose-6-phosphate dehydrogenase deficiency; Hyperglycaemia; Ketosis; Nephropathy; Neuropathy peripheral; Obesity; Type 1 diabetes mellitus; Type 2 diabetes mellitus; Weight decreased",
"side_effects": "Asthenia; Diarrhoea; Dizziness; Flatulence; Headache; Nervousness; Tension; Tremor",
"atc_codes": "A10BB07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0268",
"name": "Gossypol",
"synonyms": "gossypol; 303-45-7; (-)-Gossypol; 90141-22-3; Pogosin; (+)-Gossypol; Tash 1; (R)-(-)-Gossypol; (R)-Gossypol; racemic-Gossypol; (+-)-Gossypol; (+/-)-Gossypol; ssypol; NSC 56817; CCRIS 2689; AT101; C30H30O8; NSC56817; BL 193; NSC 624336; BRN 1917878; CHEMBL51483; AI3-22957; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde; 20300-26-9; 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde; 2,2'-bi[8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene]; 2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene); NSC624336; Gossypol acetate; NCGC00016423-03; CAS-303-45-7; ST065835; 8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene; DSSTox_CID_3110; DSSTox_RID_76879; DSSTox_GSID_23110; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (-)-; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, (+)-; [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 4-08-00-03754 (Beilstein Handbook Reference); 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde; No Fertil; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahyd; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; 7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde; 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl)]-2,3,8-trihy droxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde; Gossypol Sodium Salt; Gissypol, (R)-; NSC-19048; Sodium Salt, Gossypol; Gossypol, (+)-Isomer; Gossypol, (-)-Isomer; SR-01000597521; Gossypol Dipotassium Salt; UNII-XNA7DR63CQ; Gossypol, (+-)-Isomer; Dipotassium Salt, Gossypol; UNII-8DY2X8LXW4; UNII-KAV15B369O; Gossyol; HSDB 7872; Gossypol, 4; Prestwick_1031; Gossypol, (R)-; Gossypol, (S)-; Pogosin; AT101; Spectrum_000359; Spectrum_001521; Tocris-1964; SpecPlus_000602; acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde; Prestwick0_000677; Prestwick1_000677; Prestwick2_000677; Prestwick3_000677; Spectrum2_001472; Spectrum2_001624; Spectrum3_001102; Spectrum3_001516; Spectrum4_000846; Spectrum4_001931; Spectrum5_000693; Spectrum5_001035; Gossypol from cotton seeds; XNA7DR63CQ; AT-101/GOSSYPOL; UPCMLD-DP103; NCIMech_000271; cid_3503; SCHEMBL3939; 8DY2X8LXW4; BSPBio_000773; BSPBio_002804; BSPBio_003191; KBioGR_001451; KBioGR_002303; KBioSS_000839; KBioSS_002001; MLS000028490; DivK1c_000173; DivK1c_006698; SPECTRUM1504019; SPBio_001423; SPBio_001687; SPBio_002694; BPBio1_000851; cid_227456; GTPL4204; KAV15B369O; DTXSID5023110; UPCMLD-DP103:001; UPCMLD-DP103:002; BDBM23223; BDBM46555; CTK8G0094; KBio1_000173; KBio1_001642; KBio2_000839; KBio2_002001; KBio2_003407; KBio2_004569; KBio2_005975; KBio2_007137; KBio3_002024; KBio3_002691; EX-A068; NINDS_000173; QBKSWRVVCFFDOT-UHFFFAOYSA-N; HMS1570G15; HMS2097G15; HMS3262J15; HMS3268O22; HMS3413L10; HMS3651C18; HMS3677L10; BCP03607; ZINC3775575; Tox21_110434; Tox21_500847; BN0226; CCG-35400; MFCD00017352; NSC-56817; NSC726190; NSC728875; SBB012338; STK063457; AKOS002140475; Tox21_110434_1; BCP9000332; CS-2106; DB13044; LMPR0103330002; LP00847; MCULE-2539927675; NSC-624336; NSC-726190; NSC-728875; PXT0004725; SB17342; IDI1_000173; KS-0000183E; SMP2_000170; NCGC00016423-01; NCGC00016423-02; NCGC00016423-04; NCGC00016423-05; NCGC00016423-06; NCGC00016423-07; NCGC00016423-08; NCGC00016423-09; NCGC00016423-10; NCGC00016423-14; NCGC00016423-15; NCGC00025331-01; NCGC00025331-02; NCGC00025331-03; NCGC00025331-04; NCGC00025331-06; NCGC00025331-07; NCGC00261532-01; (2,2-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (+-)-; 4CA-0193; AC-20251; AC-30274; AK148510; AS-55885; HY-13407; LS-43993; LS-43994; LS-43996; LS-43997; NCI60_001588; NCI60_004391; SC-79036; SMR000058386; BCP0726000183; DB-047766; AB00052921; FT-0631917; N2135; ST24036539; SW197103-2; V0195; A15004; C07667; S-7805; 156767-EP2284178A2; 156767-EP2284179A2; 303G457; C-23051; Q411882; J-017920; SR-01000597521-1; SR-01000597521-5; SR-01000597521-6; (+/-)-Gossypol from cotton seeds, >=95% (HPLC); BRD-K19295594-001-06-9; BRD-K19295594-001-10-1; BRD-K19295594-015-02-8; 8-Formyl-1,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene; (+/-)-2,2'-bis(8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene); (-)-2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene); (2,8'-dicarboxaldehyde, 1,1',6,6'7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; (+)1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; (-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; (-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde,1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'- hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1- methylethyl)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde; 1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-5,5'-diisopropyl-8,8'-bis(hydroxymethylene)-2,2'-binaphthalene-7,7'(8H,8'H)-dione; 7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3,8-trihydroxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde; acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde; acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde; ethanoic acid;7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde; Pogosin|||AT-101|||7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C30H30O8",
"molecular_weight": "518.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3503",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04071",
"RC04195",
"RC04319",
"RC04443",
"RC04567"
]
},
{
"compound_ID": "D0269",
"name": "HMR 1098 (HMR 1833)",
"synonyms": "HMR 1883 sodium salt; UNII-AAU99UZB44; AAU99UZB44; HMR 1098; DS-016963; 261717-22-0; 5-chloro-2-methoxy-n-[2-[4-methoxy-3-(3-methylthioureidosulfonyl)phenyl]ethyl]benzamide sodium salt; sodium (5-chloro-2-methoxybenzoyl)(4-methoxy-3-(N-(methylcarbamothioyl)sulfamoyl)phenethyl)amide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H21ClN3NaO5S2",
"molecular_weight": "494",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15462226",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0270",
"name": "Valinomycin",
"synonyms": "valinomycin; valino; UNII-N561YS75MN; 2001-95-8; CHEBI:28545; Valinomicin; N561YS75MN; NSC122023; Antibiotic N-329 B; cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3; Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl); HSDB 6423; EINECS 217-896-6; NSC 122023; BRN 0078657; (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone; Potassium ionophore I; Potassium ionophore I - cocktail B, Selectophore(TM); balinomycin; 1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane- 2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimetyl-3,6,9,15,18,21,27,30,33-nonakis(1-methylethyl)-; 4-27-00-09728 (Beilstein Handbook Reference); CHEMBL223643; HY-N6693; BDBM50237619; AKOS024457589; CCG-208283; CS-0029275; Q417504; SR-05000002323; SR-05000002323-2; (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone; Cyclic(D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl ); Cyclo(D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)",
"trade_name": "",
"abbrev_name": "",
"description": "potassium ionophores; dodecadepsipeptide; transport of potassium; antibiotic; K+-selective ionophoric cyclodepsipeptide;",
"molecular_formula": "C54H90N6O18",
"molecular_weight": "1111.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3000706",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010602",
"F020403",
"F0402"
],
"references": [
"RC03487",
"RC03599",
"RC04963"
]
},
{
"compound_ID": "D0271",
"name": "Isoflurane",
"synonyms": "isoflurane; 26675-46-7; Forane; 1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether; Forene; Aerrane; Isoflurano; 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane; Isofluranum; IsoFlo; Compound 469; Isofluranum [INN-Latin]; R-E 235dal; AErrane (Veterinary); Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-; Isoflurano [INN-Spanish]; CCRIS 3043; Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl; Isoflurane [Anaesthetics, volatile]; EINECS 247-897-7; BRN 1852087; CHEBI:6015; PIWKPBJCKXDKJR-UHFFFAOYSA-N; 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane; NCGC00181037-01; DSSTox_CID_752; DSSTox_RID_75769; 1-Chloro-2,2,2-trifluoroethyldifluoromethylether; DSSTox_GSID_20752; W-107162; UNII-CYS9AKD70P; Terrell; CAS-26675-46-7; Forane (TN); Isoflurane [USAN:INN:BAN:JAN]; 1-(difluoromethoxy)-1-chloro-2,2,2-trifluoroethane; CYS9AKD70P; HSDB 8057; MFCD00066609; Isoflurane [USAN:USP:INN:BAN:JAN]; Compd 469; Isoflurane, AldrichCPR; ACMC-209gsn; SCHEMBL1532; CHEMBL1256; KSC497A6T; GTPL2505; Isoflurane (JP17/USP/INN); DTXSID3020752; CTK3J7069; BDBM217353; ZX-AP003878; Tox21_112685; Tox21_200831; ANW-26037; BBL100111; FCH917580; PC2045; SBB090213; STL454337; AKOS006228574; API0000986; DB00753; KS-5166; LS-7462; MCULE-2586244040; RTR-012058; KS-0000055Z; NCGC00181037-02; NCGC00258385-01; CC-04326; SC-17848; AB0008547; AB1010897; AC-154802; DB-046999; TR-012058; TR-031793; CS-0017450; FT-0627416; ST51041445; 1854-EP2272848A1; 1854-EP2275420A1; 1854-EP2280008A2; 1854-EP2287167A1; 1854-EP2289893A1; 1854-EP2298767A1; C-5056; C07518; D00545; EN300-123043; A818554; C-07277; Q413918; SR-01000944965; difluoromethyl 1-chloro-2,2,2-trifluoroethyl ether; SR-01000944965-1; 1-Chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane; 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-ethane; Ethane, 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-; 2-[bis(fluoranyl)methoxy]-2-chloranyl-1,1,1-tris(fluoranyl)ethane; 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane; Isoflurane",
"trade_name": "Forane",
"abbrev_name": "",
"description": "general anesthetic",
"molecular_formula": "C3H2ClF5O",
"molecular_weight": "184.49",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3763",
"classification": "N",
"indications": "Diabetes mellitus",
"side_effects": "",
"atc_codes": "N01AB06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0272",
"name": "KRN2391",
"synonyms": "Krn-2391; Krn 2391; 134431-49-5; N-cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate; 3-Pyridinecarboximidamide, N-cyano-N'-(2-(nitrooxy)ethyl)-, monomethanesulfonate; SCHEMBL676076; DTXSID40158695; LS-186939",
"trade_name": "",
"abbrev_name": "",
"description": "a novel vasodilator",
"molecular_formula": "C10H13N5O6S",
"molecular_weight": "331.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "123957",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0273",
"name": "Levosimendan",
"synonyms": "LEVOSIMENDAN; 141505-33-1; Simdax; (-)-OR-1259; UNII-C6T4514L4E; CHEBI:50567; C6T4514L4E; OR1259; Levosimedan; ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile; (R)-((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono) propanedintrile; DSSTox_CID_26445; DSSTox_RID_81620; Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone; DSSTox_GSID_46445; (R)-Simendan; Levosimendan [INN]; levosimendanum; OR 1259; Mesoxalonitrile (p-((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-pyridazinyl)phenyl)hydrazone; (R)-N-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyl dicyanide; SMR002529692; Simdax (TN); CAS-141505-33-1; Levosimendan (USAN/INN); Levosimendan [USAN:INN]; OR-1259; (R)-((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile; SCHEMBL83243; 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile; MLS003899227; MLS006010741; CHEMBL2051955; DTXSID9046445; Levosimendan, >=98% (HPLC); WHXMKTBCFHIYNQ-SECBINFHSA-N; HMS3264G03; KUC109648N; Pharmakon1600-01502356; ACT02710; BCP07048; KS-00000IR8; ZINC3915645; Tox21_112191; Tox21_113768; NSC759644; s2446; AKOS015895214; Tox21_112191_1; AC-1752; AM84381; API0003165; CCG-213048; CS-2501; DB00922; DS-8918; NSC-759644; SB17415; ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile; KSC-210-010; NCGC00253641-01; NCGC00263564-01; NCGC00263564-02; HY-14286; LS-120045; FT-0657758; SW219172-1; A11874; D04720; AB01562970_01; AB01562970_02; 741L087; A807767; Q162541; SR-01000931342; SR-01000931342-2; UNII-349552KRHK component WHXMKTBCFHIYNQ-SECBINFHSA-N; (R)-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyl dicyanide; 1-cyano-N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}methanecarbohydrazonoyl cyanide; 2-[[4-[(4R)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile",
"trade_name": "Simdax",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H12N6O",
"molecular_weight": "280.28",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "98% bound to plasma protein.",
"half_life": "Eliminination half-life is approximately 1 hour.",
"absorption": "The bioavailability of oral levosimendan is 85 ± 6% in healthy volunteers and 84 ± 4% in patients.",
"cid": "3033825",
"classification": "C",
"indications": "Cardiac failure acute; Cardiac failure chronic",
"side_effects": "",
"atc_codes": "C01CX08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0274",
"name": "Malonate",
"synonyms": "malonate; Propanedioate; Malonate dianion; Malonic acid, ion(2-); MALONATE ION; Malonate ion(2-); 156-80-9; Propanedioic acid, ion(2-); BRN 3904386; Sodium malonate dibasic monohydrate; CHEMBL359504; malo; malonoate; malonyl; Sodium; Malonate; malonate(2-); malonic acid dianion; Propanedioic acid,ion(2-); 1,3-dioxidopropane-1,3-dione; CHEBI:15792; CTK4C9189; DTXSID10166020; (-)OOC-CH2-COO(-); OFOBLEOULBTSOW-UHFFFAOYSA-L; BDBM50159797; Propanedioic acid, ion(2-) (9CI); DB02201; LS-88824; BB 0254964; 9193-EP2272847A1; 9193-EP2272972A1; 9193-EP2272973A1; 9193-EP2275395A2; 9193-EP2277861A1; 9193-EP2277872A1; 9193-EP2277876A1; 9193-EP2280012A2; 9193-EP2284169A1; 9193-EP2284170A1; 9193-EP2284172A1; 9193-EP2284178A2; 9193-EP2284179A2; 9193-EP2286812A1; 9193-EP2287161A1; 9193-EP2287162A1; 9193-EP2287167A1; 9193-EP2289876A1; 9193-EP2289891A2; 9193-EP2292227A2; 9193-EP2292595A1; 9193-EP2292614A1; 9193-EP2295412A1; 9193-EP2295413A1; 9193-EP2295432A1; 9193-EP2295434A2; 9193-EP2295550A2; 9193-EP2298777A2; 9193-EP2305680A2; 9193-EP2305682A1; 9193-EP2305808A1; 9193-EP2308479A2; 9193-EP2308838A1; 9193-EP2308861A1; 9193-EP2308872A1; 9193-EP2308879A1; 9193-EP2308960A1; 9193-EP2311835A1; 9193-EP2311837A1; 9193-EP2311842A2; 9193-EP2314295A1; 9193-EP2314581A1; 9193-EP2316829A1; 9193-EP2316834A1; 9193-EP2316835A1; 9193-EP2374454A1; 9193-EP2375479A1; 92253-EP2305680A2; A807815; Q27093252",
"trade_name": "",
"abbrev_name": "propanedioic acid",
"description": "a dicarboxylic acid",
"molecular_formula": "C3H2O4-2",
"molecular_weight": "102.05",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9084",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T002008"
],
"function": [
"F020103"
],
"references": [
"RC01142"
]
},
{
"compound_ID": "D0275",
"name": "MCC-134",
"synonyms": "CHEMBL47088; MCC-134; SCHEMBL3687893; BDBM50099576; 1-(4-Imidazol-1-yl-benzoyl)-cyclobutanecarbothioic acid methylamide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H17N3OS",
"molecular_weight": "299.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9904387",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0276",
"name": "o-phenanthroline",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "metal chelator",
"molecular_formula": "C12H8N2",
"molecular_weight": "180.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1318",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01416"
]
},
{
"compound_ID": "D0277",
"name": "Mdivi-1",
"synonyms": "Mdivi-1; 338967-87-6; Mdivi 1; 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone; Mitochondrial division inhibitor 1; 3-(2,4-Dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone; C15H10Cl2N2O2S; 3-(2,4-dichloro-5-methoxyphenyl)-2-mercaptoquinazolin-4(3H)-one; MLS000326208; Mdivi1; Bionet1_002447; Oprea1_325089; SCHEMBL5025872; CHEMBL1449747; SCHEMBL17329297; CTK8E8741; HMS575G09; KS-00000LFE; AOB6944; DTXSID50396940; EX-A684; HMS2300O14; HMS3653M13; LQT-B00679; BCP08531; 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one; BS0305; s7162; AKOS005095924; AKOS026750256; ZINC100080849; 6L-585S; CS-2462; Mdivi-1, >=98% (HPLC), powder; AK341040; HY-15886; SMR000170329; RT-013669; FT-0700293; M3108; SW220178-1; Y1878; EC-000.2482; A14316; J-019365; 3-(2,4-dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4 (1h)-quinazolinone; 3-(2,4-Dichloro-5-methoxyphenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone",
"trade_name": "",
"abbrev_name": "",
"description": "a cell-permeable selective dynamin-related protein 1 (Drp1) inhibitor; a mitochondrial division/mitophagy inhibitor ; quinazolinone derivative;",
"molecular_formula": "C15H10Cl2N2O2S",
"molecular_weight": "353.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3825829",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T358"
],
"function": [
"F030804"
],
"references": [
"RC03691",
"RC03952"
]
},
{
"compound_ID": "D0278",
"name": "Meclizine",
"synonyms": "meclizine; Meclozine; 569-65-3; Parachloramine; Chiclida; Bonine; Sea-Legs; Histamethine; Histamethizine; Histametizine; Histametizyne; Bonadettes; Calmonal; Itinerol; Monamine; Navicalm; Peremesin; Postafene; Suprimal; Travelon; Vomisseis; Ancolan; Ravelon; Sabari; Siguran; Marex; Neo-istafene; Neo-suprimal; Neo-suprimel; Antivert; Vomissels; Ancolon; (+-)-Meclizine; Meclizine hydrochloride; UCB 5062; Meclizine [INN:BAN]; Meclozinum [INN-Latin]; Meclozina [INN-Spanish]; UCB 170; 1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine; U.C.B. 5062; 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine; 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine; NSC 169189; HSDB 3113; UCB 5052; EINECS 209-323-3; 1-p-Chlorobenzhydryl-4-m-methylbenzylpiperazine; BRN 0332002; 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine; Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-; U. C. B. 5062; CHEBI:6709; 1-(p-Chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine; Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-; Dramamine II; 1-((4-Chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)piperazine; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-; 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)piperazine; Histametizyn; Meclozina; Meclozinum; Subari; 1-(p-Chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)piperazine; Ru-Vert-M; Piperazine, 1-(p-chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)-; Nevidoxine (TN); Meclozine (BAN); Meclozine [INN]; 189298-48-4; Meclozin; 1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine; Diadril (Salt/Mix); Bonamine (Salt/Mix); Bonadoxin (Salt/Mix); Vertizine (Salt/Mix); Spectrum_000891; (.+/-.)-Meclizine; Prestwick0_000457; Prestwick1_000457; Prestwick2_000457; Prestwick3_000457; Spectrum2_000110; Spectrum3_000485; Spectrum4_000037; Spectrum5_000919; SCHEMBL4649; CHEMBL1623; BSPBio_000534; BSPBio_001949; KBioGR_000473; KBioSS_001371; DivK1c_000407; SPBio_000100; SPBio_002473; BPBio1_000588; GTPL2757; DTXSID0023242; BDBM81467; CTK6G9296; KBio1_000407; KBio2_001371; KBio2_003939; KBio2_006507; KBio3_001449; NINDS_000407; OCJYIGYOJCODJL-UHFFFAOYSA-N; Meclizine;Meclozine; Parachloramine; BCP28339; NSC_4034; NSC169189; AKOS015951354; DB00737; MCULE-7463916552; NSC-169189; IDI1_000407; NCGC00018296-02; NCGC00018296-04; NCGC00018296-08; CAS_569-65-3; SC-51103; SBI-0051433.P003; AB1009566; LS-111206; WLN: T6N DNTJ AYR&R DG& D1R C1; AB00053493; FT-0659103; EN300-58334; C07116; D08163; AB00053493_14; AB00053493_15; L001136; Q386441; BRD-A50311610-300-05-4; BRD-A50311610-300-06-2; Z53003552; 1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine #",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H27ClN2",
"molecular_weight": "390.9",
"state": "solid",
"clearance": "There is limited data on the clearance of meclizine.",
"volume_of_distribution": "The volume of distribution of meclizine in humans has not been fully studied. It is proposed that meclizine may be excreted into breast milk.[L6760]",
"route_of_elimination": "Meclizine is excreted in the urine as metabolites and in the feces as unchanged drug.[L6760]",
"protein_binding": "There is limited data on the protein binding profile of meclizine.",
"half_life": "Meclizine has a plasma elimination half-life of about 5-6 hours in humans.[L6772]",
"absorption": "Most histamine H1 antagonists are reported to be readily absorbed following oral administration.[L6760] Upon oral administration, the time to reach peak plasma concentrations (Cmax) of meclizine is about 3 hours post-dose, with the value ranging from 1.5 to 6 hours.[L6772]",
"cid": "4034",
"classification": "R",
"indications": "",
"side_effects": "",
"atc_codes": "R06AE55; R06AE05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0279",
"name": "Meglitinide",
"synonyms": "Meglitinide; 54870-28-9; Meglitinide [INN]; Meglitinidum [INN-Latin]; Meglitinido [INN-Spanish]; HB 699; UNII-8V6OK1I088; BRN 2817215; 8V6OK1I088; 4-(2-((5-Chloro-2-methoxybenzoyl)amino)ethyl)benzoic acid; 4-(2-(5-Chlor-2-methoxy-benzamido)-aethyl)benzoasaeure [German]; p-(2-(5-Chloro-o-anisamido)ethyl)benzoic acid; C17H16ClNO4; Meglitinido; Meglitinidum; Benzoic acid, 4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-; BENZOIC ACID, 4-(2-((5-CHLORO-2-METHOXYBENZOYL)AMINO)ETHYL)-; SR-01000945131; SCHEMBL37926; MLS006011933; 4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzoic acid; CHEMBL149930; ZINC1668; 4-(2-(5-Chlor-2-methoxy-benzamido)-aethyl)benzoasaeure; DTXSID40203356; AKOS033822030; MCULE-5403903063; LS-36513; SMR004703520; DB-117744; SR-01000945131-1; SR-01000945131-2; Q27271068; Z224216672; 4-{2-[(5-chloro-2-methoxyphenyl)formamido]ethyl}benzoic acid",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H16ClNO4",
"molecular_weight": "333.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "41214",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0280",
"name": "Mildronate",
"synonyms": "Mildronate; Meldonium; 76144-81-5; Quaterin; Kvaterin; Meldonium [INN]; Mildonate; 3-(2,2,2-trimethylhydrazine)propionate; 3-(2,2,2-trimethyldiazan-2-ium-1-yl)propanoate; UNII-73H7UDN6EC; 3-(2,2,2-Trimethyldiazaniumyl)propanoate; 3-[(trimethylazaniumyl)amino]propanoate; BRN 3938272; 73H7UDN6EC; 2-(2-Carboxyethyl)-1,1,1-trimethylhydrazinium hydroxide inner salt; Meldonium (INN); Q-201406; Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, hydroxide, inner salt; 3-(2,2,2-trimethyldiazan-2-iumyl)propanoate dihydrate; 3-[(trimethylamino)amino]propanoic acid; MET88; CCRIS 8536; 3-[(trimethylammonio)amino]propanoate; Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt, dihydrate; SCHEMBL1282002; CHEMBL2104708; CTK8D5692; KS-00000KQL; DTXSID10997497; CHEBI:131843; ALBB-024893; BCP04503; ZX-AN023407; BDBM50007906; FCH842630; SBB072374; STL282770; AKOS002793781; AC-2090; API0000658; MCULE-5927819751; NCGC00164538-01; 802032-35-5; AS-70972; LS-77004; R719; SC-27479; FT-0645226; FT-0645227; FT-0688222; ST45028025; 3-(2,2,2-trimethyldiazan-2-iumyl)propanoate; Meldonium dihydrate, >=98% (HPLC), powder; D10504; 3-(1,1,1-trimethylhydrazinium-2-yl)propanoate; A838620; 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate; 3-(2,2,2-trimethylhydrazin-2-ium-1-yl)propanoate; Q4289752; F0001-1930; Meldonium dihydrate, European Pharmacopoeia (EP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H14N2O2",
"molecular_weight": "146.19",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "123868",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01EB22",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0281",
"name": "Minoxidil Sulfate",
"synonyms": "Minoxidil sulphate; 83701-22-8; Minoxidil sulfate salt; Minoxidil sulfate ester; U-58838; 2,6-diamino-4-(piperidin-1-yl)-1-(sulfooxy)pyrimidin-1-ium; Sulfuric acid minoxidil; CHEMBL906; C9H15N5O4S; CTK5F0969; (2,6-diamino-4-piperidin-1-ylpyrimidin-1-ium-1-yl) sulfate; HMS1361F09; HMS1791F09; HMS1989F09; HMS3402F09; BCP28489; KS-000025XX; GP8215; MFCD06248907; AKOS025311251; API0024408; GS-3619; NCGC00163139-01; NCGC00163139-02; NCGC00163139-03; K493; LS-134480; FT-0628950; C-18175; Q27254739; 2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-yl sulfate",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H15N5O4S",
"molecular_weight": "289.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "4202",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0282",
"name": "Mito-TEMPO",
"synonyms": "Mito-TEMPO; HY-112879; CS-0067207",
"trade_name": "",
"abbrev_name": "",
"description": "Superoxide Scavenger; mitochondria-targeted antioxidant; a combination of the antioxidant piperidine nitroxide TEMPO with the lipophilic cation triphenylphosphonium, giving MitoTEMPO the ability to pass through lipid bilayers with ease and accumulate several hundred-fold in mitochondria.",
"molecular_formula": "C29H36ClN2O2P",
"molecular_weight": "511",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "134828258",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0283",
"name": "Myxothiazol",
"synonyms": "Myxothiazol; Myxothiazol A; (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMIDE; 76706-55-3; UNII-6VY98BQ7NB; 6VY98BQ7NB; 1sqp; SCHEMBL447904; CHEMBL454568; ZINC12504487; DB04741; C15674; Q27463616; (2E,4R,5S,6E)-7-{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamide; 7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE; MYXOTHIAZOL",
"trade_name": "",
"abbrev_name": "",
"description": "contain a beta-methoxyacrylate (MOA) group; referred to as the MOA inhibitors; they presumably block the ET from quinol to the ISP, accompanying a red-shift in the alpha and beta-bands of the reduced heme bL spectrum.; class Ia inhibitors of Complex III (Qo site inhibitor )",
"molecular_formula": "C25H33N3O3S2",
"molecular_weight": "487.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10972974",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T001062",
"T004",
"T004001",
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC00915",
"RC00967",
"RC01113",
"RC01148",
"RC01360"
]
},
{
"compound_ID": "D0284",
"name": "N,N'-dicyclohexylcarbodiimide",
"synonyms": "DICYCLOHEXYLCARBODIIMIDE; 538-75-0; N,N'-Dicyclohexylcarbodiimide; DCCD; 1,3-Dicyclohexylcarbodiimide; DCCI; Carbodicyclohexylimide; n,n-dicyclohexylcarbodiimide; Bis(cyclohexyl)carbodiimide; DCC; Cyclohexanamine, N,N'-methanetetraylbis-; n,n'-methanediylidenedicyclohexanamine; Carbodiimide, dicyclohexyl-; Dicylcohexylcarbodiimide; N,N'-Methanetetraylbiscyclohexaamine; NSC 30022; dicyclohexylmethanediimine; N,N'-Dicyclohexylcarbodiimide (DCC); N,N'-dicyclohexylmethanediimine; CHEBI:53090; dicyclohexyl carbodiimide; UNII-0T1427205E; Dicyclohexyl-Carbodiimide; EINECS 208-704-1; N,N'-DICYCLOHEXYL-CARBODIIMIDE; n,n-dicychohexylcarbodiimide; n,n'-dicylohexylcarbodiimide; BRN 0610662; n,n-dichyclohexylcarbodiimide; n,n-dicyclohexyl carbodiimide; n,n'-dicyclohexyl carbodiimide; AI3-08191; QOSSAOTZNIDXMA-UHFFFAOYSA-N; MFCD00011659; AK-43977; 0T1427205E; DSSTox_CID_3817; DSSTox_RID_77197; DSSTox_GSID_23817; Q-200966; Cyclohexanamine,N'-methanetetraylbis-; N,N'-Dicyclohexylcarbodiimide, 99%; CAS-538-75-0; Dicyclimide;1,3-dicyclohexylcarbodiimide;N,N-Dicyclohexylcarbodiimide;N,N'-Methanediylidenedicyclohexanamine; 1,3-dicyclohexyl-1,3-diazapropa-1,2-diene; n,n'-dicyclohexylcarbodiimid; CCRIS 9266; HSDB 8049; dicyclohexylcarbodiimid; dicyclohexylcarbodimide; dicylohexylcarbodiimide; Dicylcohexylcarbodimide; dicyciohexylcarbodiimide; Dicyclohexyicarbodiimide; dicyclohexyl carbodimide; dicylohexyl-carbodiimide; PubChem12523; dicyclo-hexylcarbodiimide; dicyclohe-xylcarbodiimide; dicyclohexylcarbo-diimide; dicyclohexylcarbod iimide; dicyclohexylcarbodi-imide; ACMC-1ASTJ; Dicyclohexyl carbo diimide; Dicyclohexyl-carboxydilmide; SCHEMBL303; 1,3dicyclohexylcarbodiimide; Epitope ID:114067; EC 208-704-1; 1,3-dicyclohexylcarbodiimid; 1,3-dicyclohexylcarbodimide; 1.3-dicyclohexylcarbodimide; N,N'dicyclohexylcarbodiimide; 1,3-dicylcohexylcarbodiimide; 1.3-dicyclohexylcarbodiimide; N, N'dicyclohexylcarbodimide; N,N'-dicyclohexylcarbodimide; 1,N'-dicyclohexylcarbodimide; n.n'-dicyclohexylcarbodiimide; N,N'-dicylcohexylcarbodiimide; 4-12-00-00072 (Beilstein Handbook Reference); KSC269G8H; 1, 3-dicyclohexylcarbodiimide; 1,3- dicyclohexylcarbodiimide; 1,3-dicyclo-hexylcarbodiimide; 1,3-dicyclohexyl carbodiimide; 1,3-dicyclohexyl-carbodiimide; 1,3-dicyclohexylcarbo-diimide; N, N'-dicyclohexylcarbodimide; N,N'-Dicyclohexyl carbodimide; n,n' dicyclohexyl carbodiimide; N, N'-dicyclohexylcarbodiimide; N,N'-dicyclo hexylcarbodiimide; N,N'-dicyclo-hexylcarbodiimide; 1,3-di-cyclohexyl carbodiimide; 1,3-dicyclo hexyl carbodiimide; 1,3-dicyclohexyl carbo-diimide; 1,3-dicyclohexyl- carbodiimide; CARBODIIMIDE,DICYCLOHEXYL; CHEMBL162598; N,N,-dichyclohexyl-carbodiimide; DTXSID1023817; N, N'-dicyclohexyl carbodiimide; N,N'- dicyclohexyl carbodiimide; N,N'-dicyclo hexyl carbodiimide; N.N' - dicyclohexylcarbodiimide; CTK1G9383; N,N-dicyclohexylcarbodiimide(DCC); BDBM129231; ACT09818; BB_SC-06630; DCC, 99%; KS-000002OK; Methanediimine, N,N'-dicyclohexyl-; NSC30022; NSC53373; NSC57182; ZINC8585900; ZX-AT019822; DCC, 1.0 M in methylene chloride; Tox21_203000; Tox21_303237; ANW-31872; BBL012208; LS-200; N,N'-Methanetetraylbiscyclohexanamine; NSC-30022; NSC-53373; NSC-57182; SBB059225; STL089892; AKOS000120067; US8815951, dicyclohexylcarbodiimide; AM83818; CS-W020097; MCULE-5242025177; N,N'-methanediylidene-dicyclohexanamine; RTR-019040; US8815951, N/A; Cyclohexaamine, N,N'-methanetetraylbis-; DCC, puriss., >=99.0% (GC); NCGC00091497-01; NCGC00091497-02; NCGC00091497-03; NCGC00091497-04; NCGC00257167-01; NCGC00260545-01; BP-13398; CC-31780; SC-11254; AB1002886; BB0294814; DB-002694; N-(N-cyclohexylcarboximidoyl)cyclohexanamine; ST2407331; D0436; D0437; FT-0629452; N-((cyclohexylimino)methylene)cyclohexanamine; ST50825552; N-((cyclohexylimino)methylene) cyclohexanamine; Cyclohexaamine, N,N'-methanetetraylbis- (9CI); 538D750; C-24241; Q306565; Dicyclohexylcarbodiimide solution, 60 wt. % in xylenes; F0001-1397; N,N'-Dicyclohexylcarbodiimide, 1M solution in dichloromethane, AcroSeal(R); InChI=1/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H",
"trade_name": "",
"abbrev_name": "DCCD",
"description": "lipid-soluble carbodiimides; inhibit ATP synthase; Carboxyl Group Modifiers; classical carboxyl reagent",
"molecular_formula": "C13H22N2",
"molecular_weight": "206.33",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10868",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T019002",
"T019003"
],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01213",
"RC01214",
"RC01215",
"RC01216",
"RC01217",
"RC01218",
"RC01219",
"RC01220",
"RC01221",
"RC01222",
"RC01223",
"RC01224",
"RC01415",
"RC01887",
"RC02508",
"RC03129"
]
},
{
"compound_ID": "D0285",
"name": "Acetylcysteine",
"synonyms": "N-Acetyl-L-cysteine; acetylcysteine; 616-91-1; N-Acetylcysteine; mercapturic acid; Acetadote; L-Acetylcysteine; Broncholysin; Fluimucil; Mucomyst; N-Acetyl-cysteine; Fluprowit; Parvolex; Acetein; Airbron; Fabrol; Acetilcisteina; Acetylcysteinum; Fluimucetin; Flumucetin; Mucosolvin; Mucosil; Brunac; Fluimicil Infantil; Lysomucil; Mucofilin; Respaire; Exomuc; Inspir; NAC; Ac-Cys-OH; Mucolyticum Lappe; Mucolytikum Lappe; N-Acetyl cysteine; Mucolyticum; LNAC; N-Acetyl-3-mercaptoalanine; N-Acetyl-L-(+)-cysteine; Neo-fluimucil; NAC-TB; (R)-2-Acetamido-3-mercaptopropanoic acid; Mucolyticum-Lappe; component of Naxid; Mercapturic acid, (R)-; Cysteine, N-acetyl-, L-; (R)-mercapturic acid; Fluatox; Mucolator; Mucret; Tixair; N-acetylcystein; UNII-WYQ7N0BPYC; MUCOSIL-10; MUCOSIL-20; L-Cysteine, N-acetyl-; (2R)-2-acetamido-3-sulfanylpropanoic acid; (2R)-2-Acetamido-3-sulfanyl-propanoic acid; L-alpha-Acetamido-beta-mercaptopropionic acid; Acetylcysteinum [INN-Latin]; Acetilcisteina [INN-Spanish]; NSC 111180; CCRIS 3764; HSDB 3003; WYQ7N0BPYC; EINECS 210-498-3; MFCD00004880; MLS000028419; CHEBI:28939; PWKSKIMOESPYIA-BYPYZUCNSA-N; cysteine, N-acetyl-; NCGC00022304-05; N-Acetyl-L-cysteine hydrochloride; SMR000058377; DSSTox_CID_21; (R)-2-acetylamino-3-mercaptopropanoic acid; (2R)-2-acetylamino-3-sulfanylpropanoic acid; (2R)-2-(acetylamino)-3-sulfanylpropanoic acid; DSSTox_RID_75324; DSSTox_GSID_20021; N-Acetyl-L-cysteine, 98%; Syntemucol; Cetylev; acetyl cysteine; Flumil; Ilube; Muco sanigen; Acetyl-L-cysteine; CAS-616-91-1; SR-01000075439; Mucocedyl; AcCys; NSC111180; Acetylcysteine [USAN:INN:BAN]; N-acetyl-l-cys; NSC-111180; 2-Acetylamino-3-mercapto-propionic acid; Sodium 2-acetamido-3-mercaptopropionate; SC2; (S)-2-Acetamido-3-mercaptopropanoic acid; N-acetyl-L-cystein; Naxid (Salt/Mix); N-Acety-L-Cysteine; Acetyl Cysteine,(S); PubChem12963; Acetylcysteine [USAN:USP:INN:BAN:JAN]; N-acetyl-(R)-cysteine; Opera_ID_452; MUCOMYST (TN); Spectrum2_000086; Spectrum3_000287; Spectrum4_000137; Spectrum5_000764; N-alpha-Acetyl-L-cysteine; CHEMBL600; NAC & TNF; SCHEMBL5292; Lopac0_000081; BSPBio_001794; KBioGR_000554; KSC352Q8P; MLS001076125; MLS006011563; SPBio_000012; DTXSID5020021; CTK2F2887; KBio3_001294; Acetylcysteine (JP17/USP/INN); HMS2234J22; HMS3260A04; HMS3655G11; HMS3715D03; HY-B0215; ZINC3589203; 2-Acetylamino-3-mercapto-propionate; Tox21_110877; Tox21_201078; Tox21_500081; acetylcysteine (n-acetyl-l-cysteine); ANW-33915; BDBM50420190; s1623; AKOS015841009; Tox21_110877_1; CCG-204176; CS-2160; DB06151; GS-3121; LP00081; LS-2165; RK-0202; RTC-066653; KS-0000026W; NCGC00015086-04; NCGC00022304-03; NCGC00022304-04; NCGC00022304-06; NCGC00022304-07; NCGC00022304-08; NCGC00258631-01; NCGC00260766-01; AC-16071; AC-24117; BP-12854; BR-46577; I630; SC-09436; AB0013800; AB1002786; DB-038288; ST2408139; TC-066653; A0905; AM20100502; EU-0100081; FT-0629832; ST50824849; SW199597-2; (2R)-2-acetylamino-3-mercapto-propionic acid; EN300-72028; (2R)-2-(acetylamino)-3-mercaptopropanoic acid; 16A911; A 7250; A-1100; C06809; D00221; L-Cysteine, N-acetyl- & Tumor necrosis factor; N-Acetyl-L-cysteine, BioXtra, >=99% (TLC); 66233-EP2298305A1; 66233-EP2308851A1; AB00382974-12; AB00382974_13; L-.alpha.-Acetamido-.beta.-mercaptopropionic acid; Q375613; ANTIOXIDANT MODEL (TRAMP) -N-ACETYLCYSTEINE; J-507685; N-Acetyl-L-cysteine & Tumor necrosis factor (TNF); SR-01000075439-1; SR-01000075439-3; SR-01000075439-5; BRD-K59058747-001-20-9; N-Acetyl-L-cysteine, cell culture tested, BioReagent; N-Acetyl-L-cysteine, Vetec(TM) reagent grade, 98%; F1905-7178; CABC898A-E48B-4E13-9F72-98D0609A1854; N-Acetyl-L-cysteine, SAJ special grade, 98.0-102.0%; N-Acetyl-L-cysteine, Sigma Grade, >=99% (TLC), powder; UNII-2SPH1IMO2V component PWKSKIMOESPYIA-BYPYZUCNSA-N; Acetylcysteine, British Pharmacopoeia (BP) Reference Standard; Acetylcysteine, European Pharmacopoeia (EP) Reference Standard; Acetylcysteine, United States Pharmacopeia (USP) Reference Standard; LNAC; NAC,L-alpha-Acetamido-beta-mercaptopropionic acid; Mercapturic acid; N-Acetyl-L-cysteine, Pharmaceutical Secondary Standard; Certified Reference Material; N-Acetyl-L-cysteine, PharmaGrade, Ajinomoto, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture",
"trade_name": "Acetadote, Fluimucil, Mucomyst",
"abbrev_name": "",
"description": "treat paracetamol (acetaminophen) overdose; promotes the re-synthesis of GSH; a precursor of glutathione; thiol-containing antioxidant; modulator of the intracellular redox state.",
"molecular_formula": "C5H9NO3S",
"molecular_weight": "163.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "0.83",
"half_life": "5.6 hours (adults), 11 hours (neonates)",
"absorption": "Bioavailability is 6–10% following oral administration and less than 3% following topical administration.",
"cid": "12035",
"classification": "S; V; R",
"indications": "",
"side_effects": "",
"atc_codes": "R05CB01; S01XA08; V03AB23",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0506"
],
"references": [
"RC03572"
]
},
{
"compound_ID": "D0286",
"name": "Nicorandil",
"synonyms": "NICORANDIL; 65141-46-0; Ikorel; SG-75; Dancor; 2-Nicotinamidoethyl nitrate; Nicorandilum; Adancor; Sigmart; SG 75; 2-(nicotinamido)ethyl nitrate; N-(2-Hydroxyethyl)nicotinamide nitrate; Nicorandilum [INN-Latin]; 2-(pyridine-3-carbonylamino)ethyl nitrate; 2-(Nicotinamido)ethyl nitrat; N-(2-Hydroxyethyl)nicotinamide nitrate (ester); BRN 0481451; Nicorandil (Ikorel); UNII-260456HAM0; CHEBI:31905; EINECS 265-514-1; N-[2-(NITROOXY)ETHYL]-3-PYRIDINECARBOXAMIDE; 3-Pyridinecarboxamide, N-(2-(nitroxy)ethyl)-; 3-PYRIDINECARBOXAMIDE, N-[2-(NITROOXY)ETHYL]-; 260456HAM0; NCGC00025357-01; CPD000466365; 3-Pyridinecarboxamide, N-(2-(nitrooxy)ethyl)-; DSSTox_CID_25692; DSSTox_RID_81064; DSSTox_GSID_45692; 2-[(PYRIDIN-3-YLCARBONYL)AMINO]ETHYL NITRATE; Nikoran; Nitorubin; Aprior; 2-Nicotinamidethyl Nitrate; SMR000466365; Sigmart (TN); CAS-65141-46-0; PERISALOL; N-[2-(nitrooxy)ethyl]-3-pyridylcarboxamide; Nicorandil [USAN:BAN:INN:JAN]; SR-01000597534; Nicorandil [USAN:INN:BAN:JAN]; Nicorandil(Ikorel); 2-(Pyridine-3-carboxamido)ethyl Nitrate; RP-46417; 2-[(3-pyridinylcarbonyl)amino]ethyl nitrate; n-(2-hydroxyethyl)nicotinamide nitrate ester; N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide; SCHEMBL34547; MLS000759488; MLS001424162; MLS002222323; MLS006010701; ARONIS24318; CHEMBL284906; GTPL2411; DTXSID8045692; Nicorandil (JP17/USAN/INN); BBC/474; LBHIOVVIQHSOQN-UHFFFAOYSA-N; ZX-AFC001332; HMS2051N16; HMS2089L12; HMS2095E14; HMS2232A06; HMS3268L19; HMS3371N18; HMS3393N16; HMS3413G17; HMS3655P05; HMS3677G17; HMS3712E14; BCP09434; HY-B0341; KS-00000UH3; ZINC1533102; ZX-AS004678; Tox21_110968; BDBM50247908; BG0267; MFCD00186520; s1971; SBB080749; STL445540; AKOS001589705; AKOS015855406; AKOS025149378; Tox21_110968_1; AB04467; AC-4690; API0003563; CCG-101045; CS-2383; DB09220; HS-0049; MCULE-6145684901; NC00295; KS-0000478H; NCGC00025357-02; NCGC00025357-04; H924; SAM001246701; SC-12673; 2-(pyridin-3-ylcarbonylamino)ethyl nitrate; AB0013362; AB2000397; LS-130673; 2-[(Pyridine-3-carbonyl)amino]ethyl nitrate; FT-0602677; N0837; ST45054164; SW197675-3; C13280; D01810; Ikorel;Dancor;Nikoran;Aprior;Nitorubin;Sigmart; J10427; AB00639978-08; AB00639978-09; AB00639978_10; AB00639978_11; A834984; Q862989; SR-01000597534-1; SR-01000597534-5; BRD-K97752965-001-01-6; F0005-2298; nitric acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester",
"trade_name": "Ikorel",
"abbrev_name": "",
"description": "vasodilatory drug",
"molecular_formula": "C8H9N3O4",
"molecular_weight": "211.17",
"state": "solid",
"clearance": "The total body clearance is approximately 1.15 L/min [A20328].",
"volume_of_distribution": "After oral (and i.v.) administration of the drug, the apparent volume of distribution is approximately 1.0-1.4 L/kg body weight [A20328].",
"route_of_elimination": "The main route of elimination is the kidney with more than 60% of the administered dose was eliminated in the urine 24 hours after dosing [L887]. Only approximately 1% of nicorandil is excreted unchanged in the urine, and the remaining compounds are mainly the denitrated metabolite (9%) and its derivatives (e.g. nicotinuric acid 6%, nicotinamide 1%, N-methylnicotinamide < 1% and nicotinic acid < 1%) [L887]. Less than 2% of administered dose is excreted through the biliary system [A20328].",
"protein_binding": "Nicorandil is about 25% bound to human albumin and other plasma proteins [A20328].",
"half_life": "The elimination half life is approximately 1 hour [A20328].",
"absorption": "Following oral administration, nicorandil is well absorbed from the gastrointestinal tract with the oral bioavailability of 75% with the maximum peak plasma concentration (Cmax) reached within 30-60 minutes. The mean Cmax is Cmax then is approximately 300 ng/ml [A20328]. Steady-state plasma concentrations of nicorandil usually are reached within approximately 96-120 h after twice daily dosing (10 or 20mg) [L887].",
"cid": "47528",
"classification": "C",
"indications": "Acute coronary syndrome; Arteriospasm coronary; Myocardial infarction; Myocardial ischaemia",
"side_effects": "",
"atc_codes": "C01DX16",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0287",
"name": "NN'-Diisopropylcarbodiimide",
"synonyms": "N,N'-Diisopropylcarbodiimide; 693-13-0; Diisopropylcarbodiimide; 1,3-Diisopropylcarbodiimide; N,N-Diisopropylcarbodiimide; Carbodiimide, diisopropyl-; DIC; DIPCDI; 2-Propanamine, N,N'-methanetetraylbis-; diisopropylmethanediimine; N,N'-Methanetetraylbis(1-methylethylamine); N,N'-METHANETETRAYLBIS-2-PROPANAMINE; N,N'-Methanediylidenebis(propan-2-amine); di(propan-2-yl)methanediimine; diisopropyl carbodiimide; Diisopropyl-carbodiimide; CCRIS 3413; CHEBI:53092; UNII-OQO20I6TWH; EINECS 211-743-7; NSC 42080; MFCD00065689; OQO20I6TWH; dipropan-2-ylmethanediimine; BRN 0878281; (propan-2-yl)({[(propan-2-yl)imino]methylidene})amine; BDNKZNFMNDZQMI-UHFFFAOYSA-N; NSC42080; N,N'-methanediylidenedipropan-2-amine; N,N'-dipropan-2-ylcarbodiimide; N,N'-Diisopropylcarbodiimide, 99%; 2,6-dimethyl-3,5-diazahepta-3,4-diene; HSDB 8051; Diisoproylcarbodiimide; DIPC; di-isopropylcarbodiimide; diisopropylcarbo-diimide; PubChem12717; DSSTox_CID_5086; N,N-Diisopropylcarbodimide; 1,3-diisopropylcarbodiimid; Epitope ID:114068; N,N'-diisopropycarbodiimide; N,N'-diisopropylcarbodimide; SCHEMBL6720; DSSTox_RID_77659; DSSTox_GSID_25086; N,N'-diisoproyl carbodiimide; 1,3-diisopropyl carbodiimide; 1,3-diisopropyl-carbodiimide; N,N'-Diisopropyl carbodimide; 4-04-00-00531 (Beilstein Handbook Reference); KSC352S4T; N,N'-diisopropyl carbodiimide; N,N'-diisopropyl-carbodiimide; N,N'-diisopropylmethanediimine; 1,3-di-iso-propylcarbodiimide; ACMC-209o74; CHEMBL1332992; DTXSID4025086; N,N-diisopropylcarbodiimide(dic); CTK2F2949; ACT10052; DIC, 99%; STR04127; ZINC8585903; 2-Propanamine,N'-methanetetraylbis-; DIC [N,N'-Diisopropylcarbodiimide]; Tox21_202451; ANW-35630; BBL028105; NSC-42080; SBB056444; STL146472; AKOS000121276; DIC, purum, >=98.0% (GC); AM83823; LS-1591; MCULE-8262188101; N,N'-methanediylidenedi propan-2-amine; RTR-023067; VZ36370; NCGC00091541-01; NCGC00091541-02; NCGC00260000-01; BP-20548; CAS-693-13-0; SC-11256; AB0007248; CS-0008466; D0254; FT-0632820; N-((isopropylimino)methylene)propan-2-amine; ST24048144; ST51044325; Diisopropylcarbodiimide solution, 1 M in THF; KS-00000142; N-((isopropylimino)methyl-ene)propan-2-amine; 8375-EP2277867A2; 8375-EP2280003A2; 8375-EP2281823A2; 8375-EP2295401A2; 8375-EP2298728A1; 8375-EP2298776A1; 8375-EP2301536A1; 8375-EP2301538A1; 8375-EP2302382A2; 8375-EP2302383A2; 8375-EP2305808A1; 8375-EP2308828A2; 8375-EP2308840A1; 8375-EP2311455A1; 8375-EP2311830A1; 8375-EP2316824A1; M02889; X-4432; 29815-EP2269989A1; 29815-EP2272817A1; 29815-EP2272822A1; 29815-EP2272830A1; 29815-EP2281823A2; 29815-EP2289882A1; 29815-EP2289891A2; 29815-EP2289893A1; 29815-EP2292616A1; 29815-EP2295401A2; 29815-EP2295402A2; 29815-EP2301939A1; 29815-EP2305671A1; 29815-EP2305684A1; 29815-EP2305808A1; 29815-EP2308833A2; 29815-EP2311464A1; 29815-EP2311830A1; 29815-EP2311832A1; 29815-EP2311833A1; 29815-EP2371811A2; 29815-EP2374791A1; 30259-EP2305808A1; 30259-EP2311464A1; 34407-EP2301536A1; 34407-EP2301538A1; 34407-EP2308833A2; 34407-EP2311455A1; 40046-EP2272537A2; 40046-EP2272972A1; 40046-EP2272973A1; 40046-EP2275414A1; 40046-EP2277872A1; 40046-EP2277878A1; 40046-EP2287155A1; 40046-EP2289882A1; 40046-EP2298772A1; 40046-EP2305647A1; 40046-EP2308839A1; 40046-EP2308857A1; 40046-EP2311811A1; 40046-EP2311830A1; 100576-EP2287165A2; 100576-EP2287166A2; 100576-EP2292620A2; 100576-EP2301939A1; 693D130; N,N'-Diisopropylcarbodiimide, 99%, AcroSeal(R); Q408747; J-670017; W-104638; Diisopropylcarbodiimide solution, 1 M in dichloromethane; F0001-1801; (PROPAN-2-YL)({[(PROPAN-2-YL)IMINO]METHYLIDENE)AMINE; InChI=1/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H; N,N'-Diisopropylcarbodiimide, ChemDose(TM) tablets, Loading: 0.15mmol per tablet",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H14N2",
"molecular_weight": "126.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12734",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0288",
"name": "Nordihydro-guaiaretic acid",
"synonyms": "NORDIHYDROGUAIARETIC ACID; 500-38-9; NDGA; Dihydronorguaiaretic acid; Nordihydroguairaretic acid; Norhydroguaiaretic acid; Norguaiaretic acid, dihydro-; 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; Dinorguaiaretic acid, dihydro-; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol; NSC 4291; 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol; 2,3-Bis(3,4-dihydroxyphenylmethyl)butane; CCRIS 1399; nordihydroguaiaretic acid (ndga); nordihydroguaretic acid; Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol); CHEMBL52; EINECS 207-903-0; Nordihydroguaiaretic acid (unspecified); NSC 682984; 1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane; Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-; AI3-23059; MLS000069451; CHEBI:7625; beta,gamma-Dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane; C18H22O4; NSC4291; HCZKYJDFEPMADG-UHFFFAOYSA-N; 2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane; MFCD00002206; NSC682984; 4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol); SMR000059049; N-8500; Nordihydroguaiaretic acid, 95%; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-benzenediol; nordihydroguaiaretate; NDGA, Larrea divaricata; Norguaiaretic acid, dihydro; NDGA;Masoprocol; NCGC00015741-06; 103185-28-0; LOX inhibitor, N/A; nordihydroguaiareticacid; nordihydroguiaretic acid; Spectrum_001146; nordihydroguaiaretic-acid; nordihydroguajaretic acid; Nordihydroguaiaretic Acid, (R*,S*)-Isomer; Spectrum5_000735; DSSTox_CID_2437; cid_4534; DSSTox_RID_76590; DSSTox_GSID_22437; Oprea1_368609; KBioGR_002349; KBioSS_001626; KBioSS_002352; MLS002153435; MLS006011710; DivK1c_000999; SCHEMBL135976; ACMC-20m628; GTPL4265; 1,2-Benzenediol, 4,4'-[(2R,3R)-2,3-dimethyl-1,4-butanediyl]bis-; 1,2-Benzenediol, 4,4'-[(2R,3S)-2,3-dimethyl-1,4-butanediyl]bis-, rel-; DTXSID5022437; BDBM32020; CTK4J1997; HCZKYJDFEPMADG-UHFFFAOYSA-; HMS503G19; KBio1_000999; KBio2_001626; KBio2_002349; KBio2_004194; KBio2_004917; KBio2_006762; KBio2_007485; KBio3_002828; cMAP_000026; NINDS_000999; 1,2-Benzenediol,4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; HMS2232L16; HMS3370G10; HMS3649M15; BCP08590; HY-N0198; NSC-4291; Tox21_302171; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol; CN0046; SBB005930; STL570288; 4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol; AKOS003367978; CCG-207935; CS-1431; INB0000262; MCULE-7119316381; NSC-682984; IDI1_000999; SMP2_000272; 4,3-Dimethyltetramethylene)dipyrocatechol; NCGC00015741-04; NCGC00015741-05; NCGC00015741-08; NCGC00089785-02; NCGC00089785-03; NCGC00255380-01; AC-24202; AS-58406; CAS-500-38-9; NCI60_003992; ST056220; WLN: QR BQ D1Y1&Y1&1R CQ DQ; LS-136429; D0800; FT-0606781; Nordihydroguaiaretic acid, >=97.0% (HPLC); .beta.,.delta.-bis(3,4-dihydroxyphenyl)butane; 4,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol); C10719; W-5032; 1, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; Pyrocatechol,4'-(2,3-dimethyltetramethylene)di-; 500N389; Butane,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-; SR-01000003007; Q7050774; SR-01000003007-2; 4,4'-(2,3 Dimethyl-1,4-butanediyl)bis(1,2-benzenediol); PYROCATECHOL,4'- (2,3-DIEMTHYLTETRAMETHYLENE) DI-; 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(benzene-1,2-diol); 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol; .beta.,.gamma.-Dimethyl-.alpha.,.delta.-bis(3,4-dihydroxyphenyl)butane; 4,4'-(2,3-dimethyltetramethylene)dipyrocatechol (Nordihydroguaiaretic acid); 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol; Nordihydroguaiaretic acid, >=90% (HPLC), from Larrea divaricata (creosote bush); InChI=1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H22O4",
"molecular_weight": "302.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "4534",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0289",
"name": "Oligomycin",
"synonyms": "Oligomycin; EINECS 215-767-9; SCHEMBL4362703; LS-98326",
"trade_name": "",
"abbrev_name": "",
"description": "polyketide inhibitors of F0F1-ATPase; macrolides created by Streptomyces; inhibits ATP synthase by blocking its proton channel (Fo subunit),",
"molecular_formula": "C45H74O11",
"molecular_weight": "791.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6450197",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T019",
"T019002"
],
"function": [
"F02010202",
"F020103",
"F02040101",
"F020403",
"F0701"
],
"references": [
"RC00110",
"RC00518",
"RC00519",
"RC00968",
"RC01182",
"RC01183",
"RC01184",
"RC01185",
"RC01186",
"RC01187",
"RC01188",
"RC01189",
"RC01455",
"RC01456",
"RC01457",
"RC01458",
"RC01459",
"RC01460",
"RC01461",
"RC01462",
"RC01482",
"RC04947"
]
},
{
"compound_ID": "D0290",
"name": "Oxfenicine",
"synonyms": "32462-30-9; OXFENICINE; 4-Hydroxy-L-phenylglycine; H-Phg(4-OH)-OH; L-4-Hydroxyphenylglycine; (S)-2-AMINO-2-(4-HYDROXYPHENYL)ACETIC ACID; (S)-Amino-(4-hydroxyphenyl)acetic acid; (2s)-Amino(4-Hydroxyphenyl)Acetic Acid; UNII-9YH0WH2Z02; (2S)-2-amino-2-(4-hydroxyphenyl)acetic acid; L-2-(p-Hydroxyphenyl)glycine; L-2-(4-Hydroxyphenyl)glycine; (2S)-amino(4-hydroxyphenyl)ethanoic acid; Oxfenicine (USAN/INN); L-P-HYDROXYPHENYGLYCINE; 9YH0WH2Z02; CHEBI:31755; UK-25842; DSSTox_CID_26403; DSSTox_RID_81583; DSSTox_GSID_46403; Oxfenicina; Oxfenicinum; (S)-4-hydroxyphenylglycine; 4-Hydroxyphenylglycine; UK 25842; CAS-32462-30-9; Oxfenicinum [INN-Latin]; p-Hydroxy-L-phenylglycine; Oxfenicina [INN-Spanish]; L-(+)-A-4-HYDROXYPHENYLGLYCINE; Oxfenicine [USAN:INN:BAN]; NCGC00164509-01; EINECS 251-061-7; PubChem13975; (S)-alpha-Amino-4-hydroxybenzeneacetic acid; (S)-2-Amino-2-(4-hydroxyphenyl)essigsaeure; bmse000629; SCHEMBL122315; (s)-(4-hydroxyphenyl)glycine; Benzeneacetic acid, alpha-amino-4-hydroxy-, (alphaS)-; CHEMBL1232077; DTXSID3046403; CTK4G8744; KS-00000MKP; LJCWONGJFPCTTL-ZETCQYMHSA-N; 4-Hydroxy-L-(+)-2-phenylglycine; ACT05092; ZINC6667724; Tox21_112144; ANW-48447; BDBM50403035; L-(+)-2-(4-Hydroxyphenyl)glycine; AKOS016842371; Tox21_112144_1; CS-W018812; DB04291; HY-W018026; NCGC00344518-01; AC-24628; BR-28583; DS-11081; SC-20695; ST2408292; TC-137192; UK-25,842; FT-0630187; W5427; 4-Hydroxy-L-phenylglycine, >=99.0% (NT); C12323; D05292; S-1484; Benzeneacetic acid, a-amino-4-hydroxy-, (aS)-; (2S)-2-azanyl-2-(4-hydroxyphenyl)ethanoic acid; A821286; Benzeneacetic acid, alpha-amino-4-hydroxy-, (S)-; (S)-(+)-2-Amino-2-(4-hydroxyphenyl)acetic Acid; J-018746; Q27095113; UNII-7UYG7X0F53 component LJCWONGJFPCTTL-ZETCQYMHSA-N",
"trade_name": "",
"abbrev_name": "",
"description": "carnitine palmitoyltransferase I (CPT-1) inhibitor involved in fatty acid metabolism; L-enantiomer of 4-hydroxyphenylglycine",
"molecular_formula": "C8H9NO3",
"molecular_weight": "167.16",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "36143",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T021001",
"T021002",
"T022"
],
"function": [
"F020601",
"F02060101",
"F02060201"
],
"references": [
"RC03775",
"RC05007",
"RC05017",
"RC05027",
"RC05041",
"RC05055"
]
},
{
"compound_ID": "D0291",
"name": "P-1060",
"synonyms": "60559-94-6; N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine; BRN 0479173; Guanidine, N-cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinyl-; 1-tert-Butyl-2-cyano-3-(3-pyridyl)guanidine; C11H15N5; P-1060; GUANIDINE, 1-tert-BUTYL-2-CYANO-3-(3-PYRIDYL)-; P 1060; CHEMBL75020; SCHEMBL6369800; SCHEMBL9463611; CTK5B1696; DTXSID80209332; TXXOFXVEUPZZHB-UHFFFAOYSA-N; p1-060; LS-73316; N-tert-Butyl-N\"-cyano-N'-3-pyridylguanidine; 1-TERT-BUTYL-2-CYANO-3-(PYRIDIN-3-YL)GUANIDINE",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C11H15N5",
"molecular_weight": "217.27",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "43344",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0293",
"name": "Papaverine",
"synonyms": "papaverine; Papaverin; Papanerine; Robaxapap; 58-74-2; Papanerin; Pavabid; Papaverina; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline; Papaverine [BAN]; 6,7-Dimethoxy-1-veratrylisoquinoline; Papaverina [Italian]; NSC 136630; UNII-DAA13NKG2Q; Isoquinoline, 6,7-dimethoxy-1-veratryl-; S-M-R; Papaverine (BAN); 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline; EINECS 200-397-2; DAA13NKG2Q; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; BRN 0312930; 1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline; CHEMBL19224; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene; Pavatym; CHEBI:28241; HSDB 3147; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-; XQYZDYMELSJDRZ-UHFFFAOYSA-N; Pavacot; Ceraspan; Mesotina (TN); EV1; NSC35443; CAS-61-25-6; NCGC00015810-02; 2wey; RS 47; TNP00305; Spectrum_000071; Prestwick0_000583; Prestwick1_000583; Prestwick2_000583; Prestwick3_000583; Spectrum2_000978; Spectrum3_000537; Spectrum4_000467; Spectrum5_001188; Lopac-P-3510; Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl); Lopac0_000957; Oprea1_387689; Oprea1_810508; SCHEMBL34702; BSPBio_000426; BSPBio_002153; KBioGR_000914; KBioSS_000471; 5-21-06-00182 (Beilstein Handbook Reference); DivK1c_000321; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline; SPBio_001015; SPBio_002645; BPBio1_000470; MEGxp0_001880; DTXSID4023418; ACon1_000238; ACon1_002094; BDBM14754; CTK7A7298; KBio1_000321; KBio2_000471; KBio2_003039; KBio2_005607; KBio3_001653; KS-00002WWI; ZINC56555; 1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; NINDS_000321; HMS3561N11; HMS3746M21; ALBB-010475; 1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline; BBL012345; NSC136630; STK039035; Isoquinoline,7-dimethoxy-1-veratryl-; AKOS000277460; API0003747; CCG-202821; CS-7800; DB01113; KS-5336; MCULE-9598291893; NSC-136630; SDCCGMLS-0003037.P003; IDI1_000321; NCGC00015810-01; NCGC00015810-03; NCGC00015810-04; NCGC00015810-05; NCGC00015810-06; NCGC00015810-07; NCGC00015810-08; NCGC00015810-09; NCGC00015810-13; NCGC00024428-03; NCGC00024428-04; HY-18077; LS-85584; NCI60_003183; ST023301; SBI-0050931.P004; DB-053252; AB00053515; FT-0631261; R1247; Y1354; 6,7-DI-METHOXY-1-VERATRYLISOQUINOLINE; C06533; D07425; AB00053515_14; Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI); WLN: T66 CNJ B1R CO1 DO1& HO1 IO1; Q410374; 6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline #; BRD-K15567136-001-01-1; BRD-K15567136-003-06-6; BRD-K15567136-003-18-1; Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; SR-01000003098-10; 6,7-DIMETHOXY-1-(3.4-DIMETHOXYBENZYL)-ISOQUINOLINE; InChI=1/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H21NO4",
"molecular_weight": "339.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "~90%",
"half_life": "0.5-2 hours",
"absorption": "",
"cid": "4680",
"classification": "G; A",
"indications": "Abdominal pain; Acute myocardial infarction; Angina pectoris; Coronary artery occlusion; Muscle spasms; Peripheral vascular disorder; Pulmonary embolism; Vasospasm",
"side_effects": "",
"atc_codes": "G04BE52; G04BE02; A03AD01",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F0105",
"F020103"
],
"references": [
"RC00916",
"RC00969",
"RC01371"
]
},
{
"compound_ID": "D0294",
"name": "Piericidin A",
"synonyms": "Piericidin A; Piericidin A1; Shaoguanmycin B; Piericidin; Piericidine A; SN 198E; UNII-8VT513UJ9R; BRN 1555726; 2738-64-9; 8VT513UJ9R; CHEMBL272733; 4-Pyridinol, 2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5,6-dimethoxy-3-methyl-, (R-(R*,R*-(all-E)))-; 2,6,9,11-Tridecatetraen-4-ol, 13-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridyl)-3,5,7,11-tetramethyl-, (all-E)-(4R,5R)-; 4-Pyridinol, 2-((2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5,6-dimethoxy-3-methyl-; AR 054; (+)-piericidin A1; MEGxm0_000313; SCHEMBL18941698; SCHEMBL19717606; ACon0_001227; ACon1_001455; DTXSID80880044; CHEBI:138511; BDBM50411905; ZINC14655907; NCGC00180489-01; 2-(10-hydroxy-3,7,9,11-tetramethyl-2,4,7,11-tridecatetraenyl)-5,6-dimethoxy-3-methyl-4-pyridinol; 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one; LS-157163; J-016753; Q7191888; BRD-K73581776-001-01-6; Piericidin A from microbial source, >95% (HPLC), DMSO solution; Piericidin A from Streptomyces mobaraensis, >=90.0% (HPLC), liquid, green-yellow; 2,6,9,11-Tridecatetraen-4-ol, 13-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridyl)-3,5,7,11-tetramethyl-, (all-E)-(4S,5S)-; 2-[(2E,5E,7E,11E)-10R-hydroxy-3,7,9R,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinol; 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-5,6-dimethoxy-3-methylpyridin-4-ol",
"trade_name": "",
"abbrev_name": "",
"description": "antibiotic; Piericidins; Class I/A Complex I inhibitor ; quinone antagonists; share a partially overlapping binding site with Class II/B inhibitors; resembles ubiquinone; competes for binding sites in NADH dehydrogenase and Photosystem II",
"molecular_formula": "C25H37NO4",
"molecular_weight": "415.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6437838",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T001060"
],
"function": [
"F020103"
],
"references": [
"RC01100",
"RC01348",
"RC01349"
]
},
{
"compound_ID": "D0295",
"name": "Pinacidil",
"synonyms": "pinacidil; Pinacidil anhydrous; (R,S)-Pinacidil; 60560-33-0; (+-)-Pinacidil; Pinacidilum [INN-Latin]; P 1134; EINECS 262-294-9; S 1230; N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)guanidine; CHEMBL1159; MLS000069377; 2-Cyano-3-(4-pyridinyl)-1-(1,2,2-trimethylpropyl)guanidine; S-1230; Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-; Pinacidilum; SMR000058360; P-154; Guanidine,N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, hydrate (1:1); Pinacidil [INN]; (+/-)-Pinacidil; Pinacidil (anhydrous); SR-01000075340; SR-05000001757; NCGC00025188-04; 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine; Prestwick_396; ACMC-20mijl; Spectrum_000387; SpecPlus_000759; Opera_ID_1844; Prestwick0_000246; Prestwick1_000246; Prestwick2_000246; Prestwick3_000246; Spectrum2_001739; Spectrum5_001372; CBiol_001878; Lopac0_001037; SCHEMBL65787; BSPBio_000032; BSPBio_001461; BSPBio_002360; KBioGR_000181; KBioSS_000181; KBioSS_000867; MLS002154248; DivK1c_006855; SPECTRUM2300270; SPBio_001818; SPBio_002251; BPBio1_000036; GTPL2412; SCHEMBL9260276; DTXSID7048249; Guanidine, N-cyano-N'-4-pyridinyl-N''-[(1R)-1,2,2-trimethylpropyl]-; BCBcMAP01_000050; BDBM86245; CHEBI:91706; CTK5F4813; KBio1_001799; KBio2_000181; KBio2_000867; KBio2_002749; KBio2_003435; KBio2_005317; KBio2_006003; KBio3_000361; KBio3_000362; IVVNZDGDKPTYHK-UHFFFAOYSA-N; Bio1_000164; Bio1_000653; Bio1_001142; Bio2_000181; Bio2_000661; HMS1361J03; HMS1568B14; HMS1791J03; HMS1922L10; HMS1989J03; HMS2089C19; HMS2094G21; HMS2095B14; HMS2234F10; HMS3263O15; HMS3267P10; HMS3371H14; HMS3402J03; HMS3712B14; Pharmakon1600-02300270; 113563-71-6; NSC_4826; Tox21_501037; 2-Cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)guanidine monohydrate; 2657AH; BDBM50103517; BDBM50240750; CCG-39493; NSC759588; AKOS001637331; AKOS025394868; Guanidine, 2-cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)-, monohydrate; Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, monohydrate; API0008270; CCG-205115; CCG-222341; LP01037; MCULE-2402591602; NSC-759588; IDI1_033931; NCGC00015787-02; NCGC00015787-03; NCGC00015787-04; NCGC00015787-05; NCGC00015787-06; NCGC00025188-02; NCGC00025188-03; NCGC00025188-05; NCGC00025188-06; NCGC00025188-07; NCGC00025188-08; NCGC00095199-01; NCGC00095199-02; NCGC00095199-03; NCGC00095199-04; NCGC00188958-01; NCGC00247667-01; NCGC00261722-01; LS-73486; SBI-0051008.P004; CAS_85371-64-8; RT-004885; EU-0101037; FT-0630932; SW197742-2; AB00052442-04; AB00052442_05; AB00052442_06; 371P648; 560P330; Q821869; SR-01000075340-1; SR-01000075340-3; SR-05000001757-1; SR-05000001757-2; BRD-A43882281-001-06-4; BRD-A43882281-001-11-4; BRD-A58207013-001-01-2; 3-cyano-2-(3,3-dimethylbutan-2-yl)-1-pyridin-4-ylguanidine; N-cyano-N'-(4-pyridyl)-N''-(1,2,2-trimethylpropyl)guanidine; N''''-cyano-N-pyridin-4-yl-N''-(1,2,2-trimethylpropyl)guanidine; ()-N-Cyano-N''-4-pyridinyl-N''''-(1,2,2-trimethylpropyl)guanidine; (Z)-2-cyano-1-(3,3-dimethylbutan-2-yl)-3-(pyridin-4-yl)guanidine; 4N-cyanoimino(1,2,2-trimethylpropylamino)methyl-4-pyridinamine(Pinacidil); 4N-cyanoimino[1,2,2-trimethyl-(1R)-propylamino]methyl-4-pyridinamine; 4N-cyanoimino[1,2,2-trimethyl-(1S)-propylamino]methyl-4-pyridinamine; N''''-cyano-N-pyridin-4-yl-N''-[(1R)-1,2,2-trimethylpropyl]guanidine; N''''-cyano-N-pyridin-4-yl-N''-[(1S)-1,2,2-trimethylpropyl]guanidine; N-Pyridin-4-yl-N''-(1,2,2-trimethyl-propyl)-cyanoguanidine (pinacidil); ( inverted question mark)-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-guanidine; N''''-cyano-N-pyridin-4-yl-N''-(1,2,2-trimethylpropyl)guanidine ((+)-pinacidil); N''''-cyano-N-pyridin-4-yl-N''-(1,2,2-trimethylpropyl)guanidine (Pinacidil)",
"trade_name": "",
"abbrev_name": "",
"description": "cyanoguanidine drug; opening ATP-sensitive potassium channels; peripheral vasodilatation of arterioles and decreasing peripheral vascular resistance",
"molecular_formula": "C13H19N5",
"molecular_weight": "245.32",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "4826",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C02DG01; C02LX01",
"group": "Drug",
"drug_type": "",
"target": [
"T208"
],
"function": [
"F02110304"
],
"references": [
"RC03472"
]
},
{
"compound_ID": "D0296",
"name": "Polymyxin B",
"synonyms": "Polymixin B; polymyxin b; POLUMYXIN B; CHEMBL1201283; WQVJHHACXVLGBL-BPJDFBQWSA-N; BDBM50410807; A807660; N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-y; N-[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-4-azanyl-1-oxidanylidene-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-azanylethyl)-12-(2-methylpropyl)-3-[(1R)-1-oxidanylethyl]-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacycl",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C56H98N16O13",
"molecular_weight": "1203.5",
"state": "solid",
"clearance": "1 compartment models estimate clearance to be 2.37L/h to 2.5L/h[A176390].",
"volume_of_distribution": "1 compartment models estimate the volume of distribution to be 34.3L to 47.2L[A176390]. However, the general consensus is that the volume of distribution is yet to be determined[F4151].",
"route_of_elimination": "Polymyxin B is proposed to be primarily eliminated through renal tubular reabsorption and non-renal pathways[A176390,F4151]. Urine collection in humans and animals show <5% of polymyxin B eliminated from the kidneys[A176390]. However, a Canadian product monograph states the drug is primarily eliminated through the kidneys and that 60% of polymyxin B is recovered in the urine[F4151]. This discrepancy can be explained by the 12 to 24 hour lag time between administration and significant elimination of polymyxin B[F4151]. Non-renal elimination is not well understood but all 4 components of polymyxin B have been detected in bile[A176390].",
"protein_binding": "Polymyxin B is 79% to 92% bound to proteins[F4151]. Polymyxin B is likely 92 to 99% protein bound in circulation, though the exact proteins have not been identified[A176420].",
"half_life": "In one study the half life was 9 to 11.5 hours[A176390]. However, a Canadian monograph states the half life to be 6 hours, and 48-72 hours in patients with renal insufficiency[F4151].",
"absorption": "Administration by the oral route does not lead to absorption[A176426].",
"cid": "49800004",
"classification": "S; J; A",
"indications": "",
"side_effects": "",
"atc_codes": "S01AA18; S03AA03; S02AA11; A07AA05; J01XB02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T101"
],
"function": [
"F020103",
"F0203"
],
"references": [
"RC01016",
"RC01134",
"RC01136"
]
},
{
"compound_ID": "D0297",
"name": "Pyridaben",
"synonyms": "Pyridaben; Sanmite; 96489-71-3; Pyridaben [ISO]; NCI 129; UNII-2E4JBA5272; HSDB 7052; C19H25ClN2OS; 2-tert-Butyl-5-(4-tert-Butylbenzylthio)-4-chloropyridazin-3(2H)-one; 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one; MLS001165698; CHEBI:38626; DWFZBUWUXWZWKD-UHFFFAOYSA-N; 2E4JBA5272; 2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one; SMR000550490; 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one; 3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-; 3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-; 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone; SR-01000789284; EC 405-700-3; DSSTox_CID_12573; DSSTox_RID_78991; DSSTox_GSID_32573; SCHEMBL27429; cid_91754; CHEMBL225963; DTXSID5032573; BDBM58401; DWFZBUWUXWZWKD-UHFFFAOYSA-; HMS2885L11; ACT03255; ZINC1543237; Tox21_301090; KM3423; Pyridaben 100 microg/mL in Methanol; AKOS015897404; KS-1098; Pyridaben 10 microg/mL in Cyclohexane; Pyridaben 1000 microg/mL in Methanol; NCGC00164309-01; NCGC00164309-02; NCGC00164309-03; NCGC00254990-01; Pyridaben 100 microg/mL in Acetonitrile; CC-34094; M865; AB0015419; CAS-96489-71-3; LS-129791; FT-0082433; FT-0630993; Pyridaben, PESTANAL(R), analytical standard; C18614; J90047; 489P713; C-20997; Q2119916; SR-01000789284-2; SR-01000789284-3; 2 -t-butyl-5-(p-t-butylbenzylthio)-4-chloro-3(2H)-pyridazinone; 2-t-butyl-5-(p-t-butylbenzylthio)-4-chloro-3(2H)-pyridazinone; 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloro-pyridazin-3-one; 2-tert-butyl-4-chloro-5-(4-tert-butylbenzyl) thio 3(2H)-pyridazinone; 2-tert-butyl-4-chloro-5-(4-tert-butylbenzyl)thio 3(2H)-pyridazinone; 2-tert-butyl-5-[(4-tert-butylphenyl)methylthio]-4-chloro-3-pyridazinone; 2-tert.-butyl-4-chloro-5-(4-tert.-butyl-benzylthio)-3(2H)-pyridazinone; 2-tert.-butyl-4-chloro-5-(4-tert.-butylbenzylthio)-3(2H)-pyridazinone; 2-tert-Butyl-5-[(4-tert-butylbenzyl)sulfanyl]-4-chloro-3(2H)-pyridazinone #; 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloranyl-pyridazin-3-one; 2-tert-Butyl-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-chloropyridazin-3(2H)-one; InChI=1/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3",
"trade_name": "",
"abbrev_name": "",
"description": "pyridazinone derivative; acaricide and insecticide",
"molecular_formula": "C19H25ClN2OS",
"molecular_weight": "364.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "91754",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01376",
"RC04952"
]
},
{
"compound_ID": "D0298",
"name": "Repaglinide",
"synonyms": "Repaglinide; 135062-02-1; Prandin; NovoNorm; GlucoNorm; AG-EE 623 ZW; Repaglinidum; Repaglinida; Repaglinidum [INN-Latin]; Repaglinida [INN-Spanish]; AG-EE 388 ZW; (S)-2-Ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid; AGEE-623ZW; UNII-668Z8C33LU; C27H36N2O4; (S)-(+)-2-Ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoic acid; CHEMBL1272; AG-EE 623ZW; CHEBI:8805; 668Z8C33LU; (S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid; 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid; 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid; 2-Ethoxy-4-[2-[[(1S)-3-Methyl-1-[2-(1-Piperidinyl)Phenyl]Butyl]Amino]-2-Oxoethyl]Benzoic Acid; NCGC00016978-01; CAS-135062-02-1; (+)-2-Ethoxy-alpha-(((S)-alpha-isobutyl-o-piperidinobenzyl)carbamoyl)-p-toluic acid; (S)-2-Ethoxy-4-(2-((methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-benzoic acid; Q-201663; Repaglinide [USAN]; Actulin; Surepost; Reglin; 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid; 2-ethoxy-4-(2-{[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino}-2-oxoethyl)benzoic acid; Benzoic acid, 2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-, (S)-; SMR000466305; Prandin (TN); AG-EE 388; Repaglinide (JAN/USP/INN); AG-EE-623 ZW; AG-EE-388; (S)-Repaglinide; Repaglinide,(S); SMP-508; Surepost (TN); (S)-2-Ethoxy-4-[2-[[3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid; AK-59609; BJX; Repaglinide [USAN:USP:INN:BAN]; NN-623; 111GE012; Prestwick0_001046; Prestwick1_001046; Prestwick2_001046; Prestwick3_001046; DSSTox_CID_3552; Prandin;GlucoNorm;NovoNorm; 2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid; 2-ethoxy-N-(alpha-(2-methyl-1-propyl)-2-piperidinobenzyl)-4-carbamoylmethylbenzoic acid; DSSTox_RID_77078; DSSTox_GSID_23552; SCHEMBL16137; BSPBio_000972; (S)-2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)-phenyl)butyl)amino)-2-oxoethyl)-benzoic acid; MLS000759407; MLS001076684; MLS001424111; MLS006011560; BIDD:GT0338; SPBio_002906; BPBio1_001070; GTPL6841; DTXSID3023552; CTK3J7345; FAEKWTJYAYMJKF-QHCPKHFHSA-N; HMS1571A14; HMS2051N08; HMS2094C07; HMS2098A14; HMS2231M21; HMS3414D09; HMS3678D09; HMS3715A14; Pharmakon1600-01506035; BCP04250; KS-00000GU9; ZINC3798537; Tox21_110721; AC-726; ANW-63956; BDBM50153520; BG0514; MFCD00906179; NSC759893; s1426; STK629501; AKOS005561792; Repaglinide, >=98% (HPLC), solid; API0004049; BS-1010; CCG-101013; CS-0979; DB00912; MCULE-3611790330; NC00263; NSC-759893; RTC-063882; NCGC00016978-02; NCGC00016978-04; NCGC00016978-05; CC-34234; CPD000466305; HY-15209; I979; LS-38509; SAM001246546; SC-17344; SBI-0206942.P001; AB0013959; AB2000099; AX8145505; TC-063882; AB00514019; AM20090697; FT-0631150; R0179; ST24036034; SW197344-4; 62R021; C07670; D00594; W-5210; AB00514019-09; AB00514019_10; AB00514019_11; C-22512; SR-01000759404; Q2195995; SR-01000759404-4; BRD-K82846253-001-03-0; Z1777729210; Repaglinide, European Pharmacopoeia (EP) Reference Standard; Repaglinide, United States Pharmacopeia (USP) Reference Standard; (s)-(+)-2-ethoxy-4-(2-oxo-2-[(alpha-isobutyl-2-piperidinobenzyl)amino]ethyl)-benzoic acid; Repaglinide for system suitability, European Pharmacopoeia (EP) Reference Standard; (S)-2-Ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoic acid; 2-Ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benz oic acid; 2-Ethoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid; Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H36N2O4",
"molecular_weight": "452.6",
"state": "solid",
"clearance": "33-38 L/hour following IV administration",
"volume_of_distribution": "31 L following IV administration in healthy individuals",
"route_of_elimination": "90% eliminated in feces (<2% as unchanged drug), 8% in urine (0.1% as unchanged drug)",
"protein_binding": ">98% (e.g. to to albumin and α1-acid glycoprotein)",
"half_life": "1 hour",
"absorption": "Rapidly and completely absorbed following oral administration. Peak plasma concentrations are observed within 1 hour (range 0.5-1.4 hours). The absolute bioavailability is approximately 56%. Maximal biological effect is observed within 3-3.5 hours and plasma insulin levels remain elevated for 4-6 hours. When a single 2 mg dose of repaglinide is given to healthy subjects, the area under the curve (AUC) is 18.0 - 18.7 (ng/mL/h)^3.",
"cid": "65981",
"classification": "A",
"indications": "Blood glucose decreased; Coronary artery disease; Diabetic complication; Hyperglycaemia; Nephropathy; Neuropathy peripheral; Obesity; Retinal disorder; Type 1 diabetes mellitus; Type 2 diabetes mellitus; Weight decreased",
"side_effects": "Angina pectoris (0.018); Arthralgia; Back pain; Bronchitis; Chest pain; Constipation; Diarrhoea; Dyspepsia; Headache; Hypersensitivity; Hypoglycaemia; Musculoskeletal discomfort; Nausea; Paraesthesia; Rhinitis; Sinusitis; Tooth disorder; Urinary tract infection; Vomiting",
"atc_codes": "A10BX02; A10BD14",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0299",
"name": "Ru360",
"synonyms": "(mu)[(HCO2)(NH3)4Ru]2OCl3",
"trade_name": "",
"abbrev_name": "",
"description": "oxo-bridged dinuclear ruthenium ammine complex with an absorption spectrum maximum at 360 nm; analog of ruthenium red; inhibitor of the mitochondrial calcium uniporter",
"molecular_formula": "C2H22Cl3N8O5Ru2-",
"molecular_weight": "546.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16760639",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T205"
],
"function": [
"F02110301"
],
"references": [
"RC03569"
]
},
{
"compound_ID": "D0300",
"name": "Sildenafil",
"synonyms": "Sildenafil",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H30N6O4S",
"molecular_weight": "474.6",
"state": "solid",
"clearance": "The total body clearance documented for sildenafil is 41 L/h [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].",
"volume_of_distribution": "The mean steady-state volume of distribution documented for sildenafil is approximately 105 L - a value which suggests the medication undergoes distribution into the tissues [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].",
"route_of_elimination": "After either oral or intravenous administration, sildenafil is excreted as metabolites predominantly in the feces (approximately 80% of the administered oral dose) and to a lesser extent in the urine (approximately 13% of the administered oral dose) [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].",
"protein_binding": "It is generally observed that sildenafil and its main circulating N-desmethyl metabolite are both estimated to be about 96% bound to plasma proteins [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614]. Nevertheless, it has been determined that protein binding for sildenafil is independent of total drug concentrations [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].",
"half_life": "The terminal phase half-life observed for sildenafil is approximately 3 to 5 hours [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].",
"absorption": "Sildenafil is known to be quickly absorbed, with maximum plasma concentrations being observed within 30-120 minutes (with a median of 60 minutes) of oral administration in a fasting patient [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614]. Moreover, the mean absolute bioavailability observed for sildenafil is about 41% (from a range of 25-63%) [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614]. In particular, after oral three times a day dosing of sildenafil, the AUC and Cmax increase in proportion with dose over the recommended dosage range of 25-100 mg [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].\n\nWhen used in pulmonary arterial hypertension patients, however, the oral bioavailability of sildenafil after a dosing regimen of 80 mg three times a day, was on average 43% greater than compared to the lower doses [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].\n\nFinally, if sildenafil is administered orally with food, the rate of absorption is observed to be decreased with a mean delay in Tmax of about 60 minutes and a mean decrease in Cmax of approximately 29% [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614]. Regardless, the extent of absorption is not observed to be significantly affected as the recorded AUC decreased by only about 11 % [F3850, F3853, F3856, F3859, F3883, F3886, L5611, L5614].",
"cid": "5212",
"classification": "G",
"indications": "Connective tissue disorder; Diabetes mellitus; Erectile dysfunction; Fasting; Heart disease congenital; Hepatic cirrhosis; Hepatic failure; Hypertension; Hypotonia; Liver disorder; Muscle rigidity; Pulmonary arterial hypertension; Renal failure; Renal impairment; Spinal cord injury",
"side_effects": "Bronchitis (0.2); Rhinorrhoea (0.034); Back pain; Body temperature increased; Cough; Dermatitis; Diarrhoea; Dizziness; Dyspepsia; Dyspnoea; Epistaxis; Erythema; Flushing; Gastritis; Headache; Influenza; Insomnia; Musculoskeletal discomfort; Myalgia; Nasal congestion; Nausea; Oedema; Pain in extremity; Paraesthesia; Pharyngitis; Rash; Rhinitis; Sinusitis; Upper respiratory tract infection; Urinary tract infection; Vertigo; Visual impairment; Vomiting",
"atc_codes": "G04BE03; G01AE10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0301",
"name": "Trifluoperazine",
"synonyms": "trifluoperazine; Trifluperazine; Trifluoroperazine; Trifluoperazina; Trifluoperazin; Triflurin; Triperazine; 117-89-5; Trifluoromethylperazine; Flurazine; Stelazine; Trifluoperazinum; Trifluroperizine; Trifluoperazine hydrochloride; Trifluoperazina [Italian]; RP 7623; Fluoperazine; Triphthasine; Trifluoperazine [INN:BAN]; Trifluoperazinum [INN-Latin]; Trifluoperazina [INN-Spanish]; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; TFP; Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine; NSC 17474; Calmazine; UNII-214IZI85K3; CCRIS 6994; C21H24F3N3S; HSDB 3195; 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine; 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; EINECS 204-219-4; NSC 46061; 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE; SKF 5019; CHEBI:45951; 214IZI85K3; 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine; Tripfluoperazine Hydrochloride; 10H-Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; NSC17474; 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; MLS001146870; MLS002702821; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; SMR001566649; NSC-17474; Trifluoperazine (INN); 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride; CAS-440-17-5; Apo-trifluoperazine (TN); Stelazine (*Dihydrochloride*); 2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine; Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; Trifluoperazin HCl; NCI17474; Synklor (Salt/Mix); Stelazine (Salt/Mix); Triftazin (Salt/Mix); Spectrum_000668; Terfluzine (Salt/Mix); Triftazine (Salt/Mix); Jatroneural (Salt/Mix); Fluoperazine (Salt/Mix); Triphthazine (Salt/Mix); 605-75-4; Prestwick0_000313; Prestwick1_000313; Prestwick2_000313; Prestwick3_000313; Spectrum2_000828; Spectrum3_001374; Spectrum4_000368; Spectrum5_001553; Lopac-T-8516; Biomol-NT_000060; CHEMBL422; cid_5566; NCIStruc1_001127; NCIStruc2_001093; BIDD:PXR0132; Lopac0_001232; SCHEMBL24866; BSPBio_000306; BSPBio_001190; BSPBio_002928; GTPL214; KBioGR_000530; KBioGR_000835; KBioGR_002431; KBioSS_000530; KBioSS_001148; KBioSS_002437; MLS006011857; DivK1c_000843; SPBio_000755; SPBio_002525; BPBio1_000338; BPBio1_001345; DTXSID1046928; BDBM79181; cid_2913535; KBio1_000843; KBio2_000530; KBio2_001148; KBio2_002431; KBio2_003098; KBio2_003716; KBio2_004999; KBio2_005666; KBio2_006284; KBio2_007567; KBio3_000959; KBio3_000960; KBio3_002148; KBio3_002910; cMAP_000048; NINDS_000843; ZEWQUBUPAILYHI-UHFFFAOYSA-N; Bio1_000458; Bio1_000947; Bio1_001436; Bio2_000435; Bio2_000915; HMS1362L11; HMS1792L11; HMS1990L11; HMS2089J11; HMS3429O07; KUC109776N; CCG-37306; NCGC00013226; PDSP1_001300; PDSP2_001284; STK182873; ZINC19418959; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine; AKOS001487920; DB00831; MCULE-3726407978; IDI1_000843; IDI1_002190; KSC-210-031; MRF-0000088; QTL1_000085; NCGC00013226-02; NCGC00013226-03; NCGC00013226-04; NCGC00013226-05; NCGC00013226-06; NCGC00013226-07; NCGC00013226-08; NCGC00013226-09; NCGC00013226-10; NCGC00013226-11; NCGC00013226-12; NCGC00013226-13; NCGC00013226-15; NCGC00024251-03; NCGC00024251-04; NCGC00024251-05; NCGC00024251-06; NCGC00024251-07; M989; NCI60_001427; NCI60_004087; SC-95890; SBI-0051199.P003; AX8155275; LS-105595; AB00053558; FT-0650159; 5858-EP2302003A1; 5858-EP2309505A1; C07168; D08636; AB00053558-27; AB00053558_28; AB00053558_29; L001075; Q1752915; SR-01000003020-6; BRD-K89732114-001-02-6; BRD-K89732114-001-03-4; BRD-K89732114-001-05-9; BRD-K89732114-300-05-5; BRD-K89732114-300-07-1; 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine #; 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride; 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H24F3N3S",
"molecular_weight": "407.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "10-20 hours",
"absorption": "",
"cid": "5566",
"classification": "N",
"indications": "Aggression; Agitated depression; Agitation; Alcohol abuse; Alcoholism; Anxiety; Bipolar disorder; Bipolar I disorder; Brain injury; Catatonia; Delusion; Electroencephalogram abnormal; Generalised anxiety disorder; Hallucination; Mental retardation; Mitral valve incompetence; Neurosis; Psychotic disorder; Schizophrenia; Schizophrenia, paranoid type; Senile psychosis; Tardive dyskinesia; Tension; Tremor",
"side_effects": "",
"atc_codes": "N05AB06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105"
],
"references": [
"RC01026"
]
},
{
"compound_ID": "D0302",
"name": "Trimetazidine",
"synonyms": "TRIMETAZIDINE; 5011-34-7; 1-(2,3,4-Trimethoxybenzyl)piperazine; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine; 1-(2,3,4-Trimethoxy-benzyl)-piperazine; Trimetazidinum [INN-Latin]; UNII-N9A0A0R9S8; Trimetazidina [INN-Spanish]; Trimetazidine [INN:BAN:DCF]; Trimetazidine HCl; EINECS 225-690-2; Piperazine, 1-((2,3,4-trimethoxyphenyl)methyl)-; N9A0A0R9S8; UHWVSEOVJBQKBE-UHFFFAOYSA-N; Vasartel; Piperazine,1-[(2,3,4-trimethoxyphenyl)methyl]-; Piperazine, 1-[(2,3,4-trimethoxyphenyl)methyl]-; Trimetazidina; Trimetazidinum; MLS001240268; 1,2,3-trimethoxy-4-(piperazinylmethyl)benzene; NCGC00016697-01; SMR000674573; CAS-13171-25-0; Preductal; Vasorel; Preductal MB; Dilatan (TN); Trimetazidine (INN); BAS 06612844; Prestwick0_000549; Prestwick1_000549; Prestwick2_000549; Prestwick3_000549; Oprea1_279550; BSPBio_000597; MLS001331735; SCHEMBL230374; SPBio_002518; BPBio1_000657; CHEMBL203266; DTXSID2048531; BDBM80613; CHEBI:94789; cid_9926449; CTK4J2174; HMS2230L07; HMS3374D04; ALBB-004703; BCP16534; BBL013084; SBB007020; STK315643; ZINC19358638; AKOS000308094; 4-(2,3,4-Trimethoxybenzyl)piperazine; DB09069; MCULE-9820869946; 1-(2,3,4-trimethoxy benzyl)piperazine; NCGC00016697-02; SMR000814701; 1-(2,3,4-trimethoxyphenyl)methylpiperazine; 1-(2,3,4-trimethoxyphenylmethyl)piperazine; AB0111344; DB-051731; LS-175136; TR-004340; BB 0220635; FT-0603666; R3927; ST45134749; EN300-14439; 71T250; A25088; D08642; A827982; A837947; Q674703; 1-(2,3,4-trimethoxybenzyl)piperazine;hydrochloride; 1-[2,3,4-trimethoxybenzyl] piperazine dihydrochloride; BRD-K88366685-300-03-7; BRD-K88366685-300-04-5; Z99601262; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;hydrochloride; 1-((2,3,4-trimethoxyphenyl)methyl)-piperazindihydrochloride;1-(2,3,4-trimethoxybenzyl)-piperazindihydrochloride",
"trade_name": "",
"abbrev_name": "TMZ",
"description": "weak CPT-1 inhibitor; antianginal drug; metabolic modifier; assumed to be partial FAO inhibitors that targeted 3-ketoacyl-CoA thiolase (3-KAT), a component of the trifunctional protein (TFP) (hydroxyacyl-CoA dehydrogenase/enoyl-CoA hydratase/3-KAT)",
"molecular_formula": "C14H22N2O3",
"molecular_weight": "266.34",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "Half life of the modified release (MR) formulation was reported to be ∼8 h in young volunteers (25 ± 8) and ∼12 h in elderly (72 ± 4) (Barré et al. 2003).",
"absorption": "",
"cid": "21109",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01EB15",
"group": "Drug",
"drug_type": "",
"target": [
"T021001",
"T021002",
"T022"
],
"function": [
"F020401",
"F020601",
"F02060101",
"F02060201",
"F02110301"
],
"references": [
"RC00874",
"RC00875",
"RC03761",
"RC03773",
"RC05004",
"RC05014",
"RC05024",
"RC05038",
"RC05052"
]
},
{
"compound_ID": "D0303",
"name": "UK-5099",
"synonyms": "56396-35-1; UK-5099; UK 5099; 2-Cyano-3-(1-phenylindol-3-yl)acrylate; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-acrylic acid; 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid; 2-Cpiya; PF-1005023; alpha-Cyano-beta-(1-phenylindol-3-yl)acrylate; SCHEMBL16620642; AOB6943; BCPP000027; EX-A1928; 4139AH; ABP000319; ZINC33953893; AKOS024458020; ACN-032411; CS-1048; UK-5099/UK5099; UK-5099/UK5099/; AS-63568; HY-15475; UK-5099, >=98% (HPLC); UK5099; PF-1005023; S-7760; (E)-2-cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; 2-cyano-3-(1-phenyl-1H-indol-3-yl)prop-2-enoic acid",
"trade_name": "PF-1005023",
"abbrev_name": "",
"description": "Mitochondrial Pyruvate Carrier Inhibitor",
"molecular_formula": "C18H12N2O2",
"molecular_weight": "288.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6438504",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F020403"
],
"references": [
"RC04962"
]
},
{
"compound_ID": "D0304",
"name": "alpha-Tocopherol",
"synonyms": "VITAMIN E; alpha-Tocopherol; D-alpha-Tocopherol; 59-02-9; 5,7,8-Trimethyltocol; (+)-alpha-Tocopherol; (R,R,R)-alpha-Tocopherol; Phytogermine; Eprolin; a-Tocopherol; (2R,4'R,8'R)-alpha-Tocopherol; dl-a-Tocopherol; Tocopherol alpha; 10191-41-0; (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL; 2074-53-5; Aquasol E; alpha-Vitamin E; Vitamin Ea; Mixed tocopherols; D-alpha tocopherol; Syntopherol; Denamone; Viteolin; Esorb; Tocopherol (R,S); UNII-N9PR3490H9; alpha Tocopherol; 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol; Evitaminum; Profecundin; Waynecomycin; Almefrol; Emipherol; Epsilan; Etamican; Tokopharm; Vascuals; Viprimol; Vitayonon; Etavit; Ilitia; Evion; alpha-Tokoferol; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol; BPBio1_000362; Vitamin E alpha; Vitaplex E; Eprolin S; Viterra E; CHEBI:18145; E Prolin; Spavit E; GVJHHUAWPYXKBD-IEOSBIPESA-N; ido-E; 1406-18-4; Endo E; N9PR3490H9; Vita E; EINECS 215-798-8; Lan-E; Med-E; (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol; Antisterility vitamin; alpha-Tocopherol acid; Tenox GT 1; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-; Rhenogran Ronotec 50; Vi-E; Covitol F 1000; E 307 (tocopherol); (+-)-alpha-Tocopherol; DSSTox_CID_6339; (all-R)-alpha-Tocopherol; a-Vitamin E; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; DSSTox_RID_78103; DSSTox_GSID_26339; E-Oil 1000; CCRIS 3588; CCRIS 5853; HSDB 2556; alpha-Tocopherol, D-; EINECS 200-412-2; EINECS 233-466-0; NSC 20812; (2R)-2-((4R,8R)-4,8,12-trimethyltridecyl)-2,5,7,8-tetramethylchroman-6-ol; BRN 0094012; CAS-59-02-9; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R-(2R*(4R*,8R*)))-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-; SMR000471844; VIV; (+/-)-alpha-Tocopherol, 95%, synthetic; E 307; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol; Phytogermin; Palmvtee; alpha-Tocoferol; (+-)-Med-E; Vitamin Ealpha; a-D-Tocopherol; Pheryl-E; Vita plus E; d-..-Tocopherol; NCGC00016688-02; Vitamin E, liquid; (+)--tocopherol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-; Prestwick_653; EINECS 218-197-9; .alpha.-Vitamin E; (+)-a-Tocopherol; NSC 82623; RRR-alpha-tocopherol; RRR-alpha-tocopheryl; Vitamin E (liquid); Vitamin E [USP]; ()-alpha-Tocopherol; delta-alpha-tocopherol; alpha-delta-Tocopherol; Vitamin E (D-form); CHEMBL47; (R,R,R)-a-Tocopherol; DL-all-rac-A-Tocopherol; Prestwick3_000404; (+)-.alpha.-Tocopherol; (+/-)-alpha-Tocopherol; all-rac-alpha-Tocopherolum; bmse000600; EC 200-412-2; SCHEMBL3097; DL-all-rac-alpha-Tocopherol; UNII-H4N855PNZ1; BIDD:PXR0174; D-alpha-Tocopherol, 97+%; BSPBio_000328; MLS001066396; MLS001335981; MLS001335982; BIDD:ER0562; T1539_SIGMA; H4N855PNZ1; DTXSID0026339; (2R,4'R,8'R)-a-Tocopherol; Vitamin E (DL-alpha-Tocopherol); (2R,4'R,8'R)-2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1- -benzopyran-6-ol; HMS2096A10; HMS2231G08; HY-N0683; ZINC4095858; Tox21_110563; Tox21_113208; Tox21_202081; LMPR02020001; MFCD00006848; MFCD00072045; MFCD00072051; AKOS004910417; CS-8161; DB00163; LS-7727; MCULE-3684036705; NCGC00142625-01; NCGC00142625-04; NCGC00142625-05; NCGC00142625-06; NCGC00142625-07; NCGC00142625-10; NCGC00259630-01; (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; 18920-62-2; AK305272; AS-13990; E307; M349; P500; SC-18444; SC-19194; ST073358; AX8156561; LS-173092; TR-000459; FT-0600386; FT-0624406; C02477; d-alpha, d-beta, d-gamma & d-delta tocopherols; Q158348; Q-201932; W-107596; W-109164; 07AA93F0-3339-4EEC-B50B-ADB70F657087; UNII-7QWA1RIO01 component GVJHHUAWPYXKBD-IEOSBIPESA-N; UNII-N53I4V2IA6 component GVJHHUAWPYXKBD-IEOSBIPESA-N; UNII-R0ZB2556P8 component GVJHHUAWPYXKBD-IEOSBIPESA-N; (+)-alpha-Tocopherol, from vegetable oil, Type V, ~1000 IU/g; (+)-alpha-Tocopherol, Type VI, from vegetable oil, neat (liquid, >=0.88M based on potency, density and molecular wt.), BioReagent, suitable for insect cell culture, >=1000 IU/g; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol; (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol; (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 2R- 2R*(4R*,8R*) -; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)- (9CI)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C29H50O2",
"molecular_weight": "430.7",
"state": "solid",
"clearance": "6.5mL/hr/kg in premature neonates given a 20mg/kg intramuscular injection[A176113].",
"volume_of_distribution": "0.41L/kg in premature neonates given a 20mg/kg intramuscular injection[A176113].",
"route_of_elimination": "Alpha tocopherol is excreted in urine as well as bile in the feces mainly as a carboxyethyl-hydrochroman (CEHC) metabolite, but it can be excreted in it's natural form [A176137].",
"protein_binding": "Vitamin E is bound to lipoproteins in blood[A176104,A176363].",
"half_life": "44 hours in premature neonates given a 20mg/kg intramuscular injection[A176113]. 12 minutes in intravenous injection of intestinal lymph[A176363].",
"absorption": "10-33% of deuterium labelled vitamin E is absorbed in the small intestine[A176110,L3063]. Absorption of Vitamin E is dependant upon absorption of the fat in which it is dissolved[L3063,A176104]. For patients with poor fat absorption, a water soluble form of vitamin E may need to be substituted such as tocopheryl polyethylene glycol-1000 succinate[L3063].\n\nIn other studies the oral bioavailability of alpha-tocopherol was 36%, gamma-tocotrienol was 9%[A32447]. The time to maximum concentration was 9.7 hours for alpha-tocopherol and 2.4 hours for gamma-tocotrienol[A32447].",
"cid": "14985",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0305",
"name": "Acetylcarnitine",
"synonyms": "Acetyl-L-carnitine; acetylcarnitine; O-Acetyl-L-carnitine; Levocarnitine acetyl; L-O-Acetylcarnitine; (R)-Acetylcarnitine; (-)-Acetylcarnitine; R-Acetylcarnitine; Nicetile; ALCAR; L-ACETYLCARNITINE; L-Carnitine acetyl ester; Acetyl-L-(-)-carnitine; UNII-6DH1W9VH8Q; 3040-38-8; O-acetylcarnitine; 6DH1W9VH8Q; CHEBI:57589; RDHQFKQIGNGIED-MRVPVSSYSA-N; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 14992-62-2; L-Acetyl carnitine; Acetylcarnitine, L-; Carnitine, acetyl-, L-; CAR(2:0); acetyl-carnitine; HSDB 7587; acetyl l-carnitine; 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)-; (-)O-acetylcarnitine; (+-)-Acetylcarnitine; O-acetyl-(R)-carnitine; SCHEMBL118455; CHEMBL1697733; DTXSID1040956; CTK4C6435; Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, L-; LMFA07070050; DB08842; (R)-3-acetoxy-4-(trimethylammonio)butanoate; (3R)-3-(acetyloxy)-4-(trimethylammonio)butanoate; Q311992; (3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate; UNII-07OP6H4V4A component RDHQFKQIGNGIED-MRVPVSSYSA-N; 1-Propanaminium,2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt; 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt, (2R)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H17NO4",
"molecular_weight": "203.24",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Acetylcarnitine is eliminated in a similar manner as L-carnitine. Both of which are eliminated by the kidneys and involve tubular secretion.",
"protein_binding": "",
"half_life": "",
"absorption": "Acetylcarnitine supplements are absorbed in a similar manner to L-carnitine.",
"cid": "7045767",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06BX12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0307",
"name": "AEOL 10150",
"synonyms": "AEOL10150; AEOL-10150; MnDTEIP; MnTDE-2-ImP5+",
"trade_name": "",
"abbrev_name": "",
"description": "an experimental, catalytic antioxidant; a broad-spectrum metalloporphyrin superoxidase dismutase (SOD) mimic",
"molecular_formula": "C48H56Cl5MnN12",
"molecular_weight": "1033.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "42609702",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0308",
"name": "Agmatine",
"synonyms": "agmatine; 1-(4-Aminobutyl)guanidine; (4-Aminobutyl)guanidine; 306-60-5; Argmatine; 1-Amino-4-guanidobutane; N-4-Aminobutylguanidine; guanidine, (4-aminobutyl)-; N-(4-aminobutyl)guanidine; (4-Aminobutyl) guanidine; 1,4-Butanediamine, N-(aminoiminomethyl)-; 2-(4-aminobutyl)guanidine; UNII-70J407ZL5Q; EINECS 206-187-7; 4-Guanidino-1-butanamine; NSC 56332; CHEMBL58343; CHEBI:17431; QYPPJABKJHAVHS-UHFFFAOYSA-N; 70J407ZL5Q; agmatinium; Guanidine, (4-aminobutyl)- (8CI)(9CI); AGMATINE SULFATE ENDOGENOUS AGONIST AT; AG2; 1-Amino-4-guanidinobutane; .Agmatin; Spectrum_001656; Tocris-0842; SpecPlus_000500; Spectrum2_001608; Spectrum4_001905; Spectrum5_000590; Lopac-A-7127; (4-aminobutyl)-Guanidine; bmse000063; bmse000812; bmse000936; 1, N-(aminoiminomethyl)-; Lopac0_000060; SCHEMBL19647; US8633208, Agmatine; KBioGR_002496; KBioGR_002550; KBioSS_002136; KBioSS_002559; Agmatine sulfate, 90.0%+; DivK1c_006596; SPBio_001615; CS-WAA0304; GTPL4127; DTXSID0040961; BDBM85213; KBio1_001540; KBio2_002136; KBio2_002550; KBio2_004704; KBio2_005118; KBio2_007272; KBio2_007686; KBio3_003028; NSC_199; cMAP_000079; KS-00000U4H; NSC56332; ZINC1532560; Guanidine, (4-aminobutyl)- (8CI); NSC-56332; AKOS006230062; AKOS015894488; CCG-204155; DB08838; SDCCGMLS-0066765.P001; N-(aminoiminomethyl)-1,4-Butanediamine; NCGC00015083-01; NCGC00015083-02; NCGC00015083-03; NCGC00015083-04; NCGC00015083-05; NCGC00015083-06; NCGC00024820-01; NCGC00024820-02; NCGC00024820-03; NCGC00024820-04; AK608136; CAS_306-60-5; LS-73214; SC-48324; DB-068320; LS-183207; FT-0693017; C00179; 21782-EP2314571A2; Q394317; C4D19DE1-F243-434B-9E72-720B42C5AD40",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H14N4",
"molecular_weight": "130.19",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "199",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0309",
"name": "Albendazole",
"synonyms": "albendazole; 54965-21-8; Albenza; Eskazole; Valbazen; Zentel; Proftril; Albendazol; Albendazolum; Bilutac; Zental; SK&F 62979; SKF 62979; Methyl 5-(propylthio)-2-benzimidazolecarbamate; SK&F-62979; Albendazol [INN-Spanish]; Albendazolum [INN-Latin]; 5-(Propylthio)-2-carbomethoxyaminobenzimidazole; Methyl [5-(Propylthio)benzimidazol-2-yl]carbamate; SKF-62979; (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester; methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; O-Methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; NSC 220008; Albendazole(Albenza); UNII-F4216019LN; HSDB 7444; EINECS 259-414-7; MFCD00083232; Carbamic acid, [5-(propylthio)-1H-benzimidazol-2-yl]-, methyl ester; CHEMBL1483; CARBAMIC ACID, (5-(PROPYLTHIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle; [5-(Propylthio)benzimidazol-2-yl]carbamic Acid Methyl Ester; CHEBI:16664; HXHWSAZORRCQMX-UHFFFAOYSA-N; ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle [French]; F4216019LN; methyl 5-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate; methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; methyl [6-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; NCGC00016876-01; CPD000036735; Metiazol; CAS-54965-21-8; DSSTox_CID_2563; DSSTox_RID_76632; DSSTox_GSID_22563; methoxy-N-(5-propylthiobenzimidazol-2-yl)carboxamide; methyl [5-(propylthio)-1H-benzimidazol-2-yl]carbamate; methyl N-(5-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; Andazol; Albenza (TN); Albendazole [USAN:INN:BAN:JAN]; Albendazole (JAN/USP/INN); Zenteltrade mark; Albenzatrade mark; Andazoltrade mark; Eskazoletrade mark; Albendazole,(S); Prestwick_675; Albendazole (Albenza); Albendazole [USAN:USP:INN:BAN:JAN]; Spectrum_001532; (5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester; Prestwick0_000247; Prestwick1_000247; Prestwick2_000247; Prestwick3_000247; Spectrum4_000201; Spectrum5_001567; ChemDivAM_000003; ChemDiv1_000190; Methyl 5-(propyl-thio)-2-benzimidazolecarbamate; Oprea1_429292; Oprea1_585016; Oprea1_640007; SCHEMBL44682; BSPBio_000034; BSPBio_002548; KBioGR_000801; KBioSS_002012; KSC492E0L; MLS000069722; BIDD:GT0615; DivK1c_000704; SPECTRUM1503903; SPBio_002253; BPBio1_000038; DTXSID0022563; CTK3J2205; HMS502D06; HMS587I14; HXHWSAZORRCQMX-UHFFFAOYSA-; KBio1_000704; KBio2_002012; KBio2_004580; KBio2_007148; KS-00000KMZ; NINDS_000704; HMS1568B16; HMS1922K04; HMS2090G19; HMS2093K13; HMS2095B16; HMS2231O03; HMS3259B05; HMS3369C03; HMS3651C15; HMS3712B16; Pharmakon1600-01503903; [5-(Propythio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; BCP12108; HY-B0223; Tox21_110659; Tox21_302300; AC-015; ANW-42170; BBL005883; BDBM50241293; CCG-39620; N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; NSC220008; NSC758644; s1640; SBB056658; STK387550; STL046130; ZINC17146904; AKOS000540882; AKOS005431684; AKOS005699352; Tox21_110659_1; CCG-220247; CS-2170; DB00518; KS-5159; MCULE-5872469561; NC00615; NE41026; NSC-220008; NSC-758644; RTR-019407; IDI1_000704; methyl [(2Z)-5-(propylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]carbamate; NCGC00016876-02; NCGC00016876-03; NCGC00016876-04; NCGC00016876-05; NCGC00016876-06; NCGC00016876-07; NCGC00016876-08; NCGC00016876-09; NCGC00016876-10; NCGC00016876-12; NCGC00022896-03; NCGC00022896-04; NCGC00022896-05; NCGC00022896-06; NCGC00022896-07; NCGC00022896-08; NCGC00255250-01; AK405353; Albendazole, analytical standard, >=98%; H152; LS-50618; SAM002548932; SAM002589939; SC-17581; SMR000036735; ST012016; SBI-0051849.P002; AB0012898; AB1009519; DB-052669; TR-019407; AB00052377; FT-0621945; SW196830-3; T9034; EN300-49850; methyl 5-propylthio-2-benzimidazole carbamate; VU0239747-6; BIM-0051849.0001; C01779; D00134; J10424; Methyl 5-n-propylthio-2-benzimidazolecarbamate; AB00052377-13; AB00052377-14; AB00052377_15; AB00052377_16; A830429; Albendazole, Antibiotic for Culture Media Use Only; Q411629; SR-01000000171; SR-05000001875; methyl 5-(propylthio)-1H-benzimidazol-2-ylcarbamate; Q-200603; Q-200604; SR-01000000171-2; SR-05000001875-1; BRD-K79131256-001-04-7; BRD-K79131256-001-08-8; methyl 6-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate; Z1245635850; 2-[(Methoxycarbonyl)amino]-5-propylthio-1H-benzimidazole; Albendazole, European Pharmacopoeia (EP) Reference Standard; Methyl (6-(propylthio)-1H-benzo[d]imidazol-2-yl)carbamate; Methyl 5-(propylsulfanyl)-1H-benzimidazol-2-ylcarbamate #; Albendazole, United States Pharmacopeia (USP) Reference Standard; Albendazole, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",
"trade_name": "Albenza, Valbazen, Zentel",
"abbrev_name": "",
"description": "anthelmintic; antiparasitic",
"molecular_formula": "C12H15N3O2S",
"molecular_weight": "265.33",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Albendazole is rapidly converted in the liver to the primary metabolite, albendazole sulfoxide, which is further metabolized to albendazole sulfone and other primary oxidative metabolites that have been identified in human urine. Urinary excretion of albendazole sulfoxide is a minor elimination pathway with less than 1% of the dose recovered in the urine. Biliary elimination presumably accounts for a portion of the elimination as evidenced by biliary concentrations of albendazole sulfoxide similar to those achieved in plasma.",
"protein_binding": "70% bound to plasma protein",
"half_life": "Terminal elimination half-life ranges from 8 to 12 hours (single dose, 400mg).",
"absorption": "Poorly absorbed from the gastrointestinal tract due to its low aqueous solubility. Oral bioavailability appears to be enhanced when coadministered with a fatty meal (estimated fat content 40 g)",
"cid": "2082",
"classification": "P",
"indications": "Cyst; Echinococciasis; Foetor hepaticus; Hepatocellular injury; Infection; Liver disorder; Neurocysticercosis; Oedema",
"side_effects": "Alopecia (0.00016); Dizziness (0.00012); Leukopenia (7e-05); Liver function test abnormal (0.00156); Vertigo (0.00012); Abdominal pain; Body temperature increased; Gastrointestinal pain; Headache; Intracranial pressure increased; Nausea; Vomiting",
"atc_codes": "P02CA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F020403"
],
"references": [
"RC01769",
"RC02390",
"RC03011",
"RC04908"
]
},
{
"compound_ID": "D0310",
"name": "Aloe Vera Leaf",
"synonyms": "Aloe; Aloe (aloe barbadensis); Aloe barbadensis leaf; Aloe barbadensis leaf extract; Aloe barbadensis leaf juice; Aloe barbadensis leaf juice powder; Aloe barbadensis leaf powder; Aloe barbadensis leaf water; Aloe folii extractus (aloe vera); Aloe folium (aloe vera); Aloe herba (aloe vera); Aloe leaf extract; Aloe vera; Aloe vera dry leaf juice; Aloe vera extract; Aloe vera leaf extract; Aloe vera leaf exudate; Aloe vera leaf juice; Aloe vera leaf mucilage; Aloe vera leaf powder; Aloe vera mucilage; Aloes; Aloes (aloe barbadensis); Barbatos aloe leaf; Curacao aloe leaf; Ghrita kumari leaf; Kanyasara; Lu hui (aloe vera); Lu hui ye; Luhui (aloe barbadensis)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "liquid",
"clearance": "No pharmacokinetic data available.",
"volume_of_distribution": "No pharmacokinetic data available.",
"route_of_elimination": "No pharmacokinetic data available.",
"protein_binding": "No pharmacokinetic data available.",
"half_life": "No pharmacokinetic data available.",
"absorption": "No pharmacokinetic data available.",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0311",
"name": "alpha-Tocopherol succinate",
"synonyms": "vitamin e succinate; 4345-03-3; D-alpha-Tocopherol succinate; alpha-Tocopheryl succinate; tocopherol succinate; alpha-tocopherol succinate; D-ALPHA-TOCOPHERYL SUCCINATE; d-alpha-Tocopherol acid succinate; UNII-LU4B53JYVE; LU4B53JYVE; NSC 173849; alpha-Tocopherol hemisuccinate; alpha-Tocopheryl acid succinate; CCRIS 4734; alpha-Tocopheryl succinate, D-; D-alpha tocopheryl acid succinate; d-alpha-Tocopheryl acid succinate; Tocopherol acid succinate, alpha-; IELOKBJPULMYRW-NJQVLOCASA-N; alpha-Tocopheryl hydrogen succinate; alpha-Tocopherol acid succinate, D-; EINECS 224-403-8; Vitamine E succinate; NCGC00167561-01; Vitamin E hemisuccinate; DSSTox_CID_6151; DSSTox_RID_78037; DSSTox_GSID_26151; 4-Oxo-4-(((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)oxy)butanoic acid; 17407-37-3; d-|A-tocopheryl succinate; 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl hydrogen succinate, (+)-; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, (+)-; Mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) succinate, (+)-; 3-{[(2R)-2-((4R,8R)-4,8,12-trimethyltridecyl)-2,5,7,8-tetramethylchroman-6-yl] oxycarbonyl}propanoic acid; Butanedioic acid, mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester; Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, (2R-(2R*(4R*,8R*)))-; Mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate, (2R-(2R*(4R*,8R*)))-; Succinic acid, mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) ester, (+)-; CAS-4345-03-3; Alpha-tocopherol succinate, d-; Covitol 1210; D-.alpha.-Tocopherol succinate; D-.alpha.-Tocopheryl succinate; NSC173849; Vitamin-E Dragees; 4-oxo-4-((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yloxy)butanoic acid; Butanedioic acid, mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester; C33H54O5; VES; Dal-E; EINECS 241-433-7; CV 104; alpha-Vitamin E succinate; alpha-Tocopherol, succinate; .alpha.-Tocopherol succinate; White-e [veterinary] (TN); CHEMBL81421; SCHEMBL134422; a-tocopheryl hydrogen succinate; alpha tocopheryl acid succinate; (+)-alpha-Tocopheryl succinate; DTXSID2026151; alpha-Tocopherol, succinate, D-; CTK8E6815; CHEBI:135821; ACT03492; alpha-Tocopherol, succinate (6CI); ZINC4214779; Tox21_112556; Tox21_200568; (+)-alpha-Tocopherol acid succinate; LS-120; MFCD00072055; AKOS015902063; Dal-Vita brand of vitamin E succinate; Wiedemann brand of vitamin E succinate; (+)-.alpha.-Tocopherol acid succinate; AB02839; AC-1132; CCG-207945; CHM0029406; KS-00000Y68; NCGC00167561-02; NCGC00167561-03; NCGC00258122-01; 4-oxo-4-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl]oxy-butanoic acid; AS-75106; SC-17516; ST075423; TR-016848; T2628; D08612; D-alpha-Tocopherol succinate, analytical standard; C033716; SR-01000883728; SR-01000883728-1; Q27283185; D-alpha-Tocopherol succinate, semisynthetic, 1210 IU/g; D-alpha-Tocopherol succinate, BioXtra, >=98.0% (HPLC); UNII-7VJE08U49E component IELOKBJPULMYRW-NJQVLOCASA-N; Alpha tocopheryl acid succinate, United States Pharmacopeia (USP) Reference Standard; RRR-alpha-Tocopheryl hydrogen succinate, European Pharmacopoeia (EP) Reference Standard; (3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) hydrogen succinate; 4-oxo-4-{[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}butanoic acid; 55134-51-5; Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, (2R-(2R*(; Butanedioic acid,mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester; mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate; Succinic acid, mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) ester, (+)- (8CI); Tocopheryl Acid Succinate, a, Pharmaceutical Secondary Standard; Certified Reference Material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C33H54O5",
"molecular_weight": "530.8",
"state": "",
"clearance": "_In addition to any following information, owing to alpha-Tocopherol succinate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nIt is generally believed that alpha-tocopherol succinate is ultimately de-esterified or cleaved to provide alpha-tocopherol once administered to the human body [F47]. It is consequently expected that pharmacodynamics and pharmacokinetics similar to that of alpha-tocopherol to be followed [F47].",
"volume_of_distribution": "_In addition to any following information, owing to alpha-Tocopherol succinate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nIt is generally believed that alpha-tocopherol succinate is ultimately de-esterified or cleaved to provide alpha-tocopherol once administered to the human body [F47]. It is consequently expected that pharmacodynamics and pharmacokinetics similar to that of alpha-tocopherol to be followed [F47].",
"route_of_elimination": "_In addition to any following information, owing to alpha-Tocopherol succinate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nIt is generally believed that alpha-tocopherol succinate is ultimately de-esterified or cleaved to provide alpha-tocopherol once administered to the human body [F47]. It is consequently expected that pharmacodynamics and pharmacokinetics similar to that of alpha-tocopherol to be followed [F47].",
"protein_binding": "_In addition to any following information, owing to alpha-Tocopherol succinate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nIt is generally believed that alpha-tocopherol succinate is ultimately de-esterified or cleaved to provide alpha-tocopherol once administered to the human body [F47]. It is consequently expected that pharmacodynamics and pharmacokinetics similar to that of alpha-tocopherol to be followed [F47].\n\nBound to beta-lipoproteins in blood.",
"half_life": "_In addition to any following information, owing to alpha-Tocopherol succinate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nIt is generally believed that alpha-tocopherol succinate is ultimately de-esterified or cleaved to provide alpha-tocopherol once administered to the human body [F47]. It is consequently expected that pharmacodynamics and pharmacokinetics similar to that of alpha-tocopherol to be followed [F47].",
"absorption": "_In addition to any following information, owing to alpha-Tocopherol succinate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nIt is generally believed that alpha-tocopherol succinate is ultimately de-esterified or cleaved to provide alpha-tocopherol once administered to the human body [F47]. It is consequently expected that pharmacodynamics and pharmacokinetics similar to that of alpha-tocopherol to be followed [F47]. \n\n50 to 80% absorbed from gastrointestinal tract.",
"cid": "20353",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
}
]
}
