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{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=15",
"previous": "https://mitotox.org/api/compounds/list?format=api&page=13",
"results": [
{
"compound_ID": "D1330",
"name": "carboxyatractyloside",
"synonyms": "Carboxyatractyloside; CATR; CXT; GTPL4572; SCHEMBL1612956; HY-N1502; CS-0017047; Q27075710; (1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-{[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4,5-bis(sulfooxy)oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5,5-dicarboxylic acid; (2alpha,8alpha,10alpha,13alpha,15beta)-15-hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid; 15alpha-Hydroxy-2beta-[[2-O-(3-methyl-1-oxobutyl)-3-O,4-O-disulfo-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioic acid",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C31H46O18S2",
"molecular_weight": "770.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "20055804",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T192"
],
"function": [],
"references": [
"RC01246"
]
},
{
"compound_ID": "D1331",
"name": "Tianeptine",
"synonyms": "Tianeptine; 66981-73-5; 72797-41-2; Tianeptine Acid; Tianeptine [INN]; 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid; Tianeptine (INN); AKU7QFL9ZT; UNII-AKU7QFL9ZT; Stablon (TN); UNII-XV6773012I; XV6773012I; Tianeptina; 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; Q-100759; Tianeptin; (+)-Tianeptine; (-)-Tianeptine; 7-((3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoic acid; EINECS 276-851-9; Tianeptine, (+)-; Tianeptine, (-)-; 1159812-13-1; SCHEMBL49293; (1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide; MLS006010111; GTPL7558; CHEMBL1289110; DTXSID7048295; CHEBI:91749; CTK7J3426; BCP10101; EX-A2724; KS-00000L5M; CT0196; s5087; ZB1716; AKOS015900590; AC-2091; API0004407; CCG-269088; CS-0433; DB09289; KS-5099; AK323613; CC-35054; HY-90003; K099; SMR004701247; AB0014029; FT-0630770; FT-0675218; NS00008095; NS00099110; 23T172; D02575; W-5136; A835601; C-22324; Q424260; S-16190; S-16191; BRD-A53077924-236-01-4; 169293-31-6; 191172-75-5; 7-[(6-chloro-10-methyl-9,9-dioxo-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)amino]heptanoic acid; 7-[[3-chloranyl-6-methyl-5,5-bis(oxidanylidene)-11H-benzo[c][2,1]benzothiazepin-11-yl]amino]heptanoic acid; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (+)-; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (-)-; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, S,S-dioxide, (+)-",
"trade_name": "",
"abbrev_name": "",
"description": "tricyclic antidepressant",
"molecular_formula": "C21H25ClN2O4S",
"molecular_weight": "437",
"state": "solid",
"clearance": "Rapidly cleared by the kidneys [L1429].",
"volume_of_distribution": "0.8 L/kg (0.77 +/- 0.31 L/kg) [A33320]\n\n",
"route_of_elimination": "Eliminated with bile as glucuronide and glutamine conjugates [A32000].",
"protein_binding": "95% bound to plasma protein [L1429].",
"half_life": "Approximately 2.5 h [A33320]",
"absorption": "Well absorbed, approximately 99% bioavailability [A31998].",
"cid": "68870",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06AX14",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010503",
"F0203",
"F02060101"
],
"references": [
"RC03542",
"RC03543",
"RC03813"
]
},
{
"compound_ID": "D1332",
"name": "buprenorphine",
"synonyms": "buprenorphine; Buprenex; Temgesic; Buprenophine; Buprenorfina; Buprenorphinum; Probuphine; Buprenorfina [INN-Spanish]; Buprenorphinum [INN-Latin]; 52485-79-7; (-)-buprenorphine; Subutex; UNII-40D3SCR4GZ; Butrans; CHEBI:3216; DEA No. 9064; buprenorphin; 40D3SCR4GZ; CAM2038; 21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine; RX 6029M; 6029-M; (5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol; 17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol; 2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol; Probuphenine; EINECS 257-950-6; Temgesic (TN); 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol; 17-Cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl-6-methoxy-6,14-endo-ethanomorphinan-3-ol; 2-(N-Cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-7alpha-yl)-3,3-dimethyl-2-butanol; 21-(Cyclopropyl-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine; Buprenorphine (JAN/INN); CHEMBL560511; Buvidal; Sublocade; Buprenorphine [INN:BAN:JAN]; Buprenorphine (BN); BEMA; 53152-21-9; [5alpha,7alpha(S)]-; SCHEMBL15821; GTPL1670; DTXSID2022705; Sixmo (buprenorphine hydrochloride); [5?,7?(S)]-?-tert-butyl-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?-methyl-6,14-ethenomorphinan-7-methanol hydrochloride;[5a,7a(S)]-a-tert-butyl-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol hydrochloride;Buprenorphine hydrochloride; 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-, (5-alpha,7-alpha-(S))-; RBP-6000; ZINC1319780; BDBM50026603; DB00921; [5alpha,7alpha(S)]-17-(Cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-6,14-ethenomorphinan-7-methanol; 21-cyclopropyl-7alpha-(2-hydroxy-3,3-dimethyl-2-butyl)-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine; CC-25269; C08007; D07132; C-22673; Q407721; (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10-trien-11-ol; (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol; (2S)-2-[(5R,6R,7R,14S)-9alpha-Cyclopropylmethyl-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethanomorphinan-7-yl]-3,3-dimethylbutan-2-ol; (5alpha,14beta,18R)-17-(Cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol; 6,14-ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-, (5alpha,7alpha)-; 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-,; 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-, (alphaS,5alpha,7alpha)- (9CI)",
"trade_name": "Subutex",
"abbrev_name": "",
"description": "opioid",
"molecular_formula": "C29H41NO4",
"molecular_weight": "467.6",
"state": "solid",
"clearance": "Clearance may be higher in children than in adults. \nPlasma clearance rate, IV administration, anaesthetized patients = 901.2 ± 39.7 mL/min;\nPlasma clearance rate, IV administration, healthy subjects = 1042 - 1280 mL/min. \n",
"volume_of_distribution": "Buprenorphine is very lipophillic and is thus highly distributed. The estimated volume of distribution is 188 - 335 L when given intravenously. It is able to cross into the placenta and breast milk.",
"route_of_elimination": "Buprenorphine, like morphine and other phenolic opioid analgesics, is metabolized by the liver and its clearance is related to hepatic blood flow. It is primarily eliminated via feces (as free forms of buprenorphine and norbuprenorphine) while 10 - 30% of the dose is excreted in urine (as conjugated forms of buprenorphine and norbuprenorphine).",
"protein_binding": "96% protein bound to alpha- and beta-globulin.",
"half_life": "IV administration, 0.3 mg = 1.2 - 7.2 hours (mean 2.2 hours);\nSublingual administration = 37 hours.",
"absorption": "31% bioavailability (sublingual). Sublingual absorption is also dependent on pH. The length of time the tablet is under the tongue has little effect on absorption. Although buprenorphine is rapidly absorbed from the oral mucosa, the absorption into the systemic is slower. The time to reach peak plasma concentration (Tmax) varies between individuals (range of 40 minutes to 3.5 hours). How buprenorphine is formulated does not affect this pharmacokinetic parameter. It also undergoes extensive first-pass metabolism and as a consequence, has very low oral bioavailability. Coadministration with naloxone does not effect the pharmacokinetics of buprenorphine.",
"cid": "644073",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N07BC01; N07BC51; N02AE01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010503",
"F02060101"
],
"references": [
"RC03541",
"RC03818"
]
},
{
"compound_ID": "D1333",
"name": "SB202190",
"synonyms": "SB 202190; 152121-30-7; SB-202190; SB202190; FHPI; SB202190 (FHPI); UNII-PVX798P8GI; 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole; CHEBI:79090; 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole; Phenol, 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-; PVX798P8GI; C20H14FN3O; CHEMBL278041; 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol; 4-(4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)1H-imidazole; 4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol; 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one; 4-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone; SMR001230795; SB 202190, Immobilized; InSolution™ SB 202190; Kinome_3708; Tocris-1264; BiomolKI_000051; Lopac-S-7067; biotinylated SB202190; BiomolKI2_000057; Lopac0_000173; BMK1-F3; BSPBio_001106; KBioGR_000446; KBioSS_000446; cc-468; MLS002153419; MLS006010258; SCHEMBL158854; GTPL4307; SCHEMBL1230814; DTXSID7041120; BDBM13531; CHEBI:92952; KBio2_000446; KBio2_003014; KBio2_005582; KBio3_000831; KBio3_000832; AOB2557; EX-A313; SYN1073; 4o77; ZX-AFC001670; Bio1_000479; Bio1_000968; Bio1_001457; Bio2_000393; Bio2_000873; HMS1362H07; HMS1792H07; HMS1990H07; HMS2235B15; HMS3229M22; HMS3244I13; HMS3244I14; HMS3244J13; HMS3260D07; HMS3267J19; HMS3371G22; HMS3403H07; HMS3412C22; HMS3654O15; HMS3674G07; HMS3676C22; BCP00675; Tox21_500173; ABP000229; BDBM50044784; BS0317; GK2422; MFCD00941964; s1077; ZINC14951176; ZINC89221712; AKOS005146403; AKOS026750414; ACN-053035; CCG-100655; CCG-204268; CS-0141; LP00173; QC-9800; SDCCGSBI-0050161.P003; IDI1_002148; SMP2_000191; NCGC00015962-01; NCGC00015962-02; NCGC00015962-03; NCGC00015962-04; NCGC00015962-05; NCGC00015962-06; NCGC00015962-07; NCGC00015962-08; NCGC00015962-09; NCGC00015962-10; NCGC00025089-01; NCGC00025089-02; NCGC00025089-03; NCGC00025089-04; NCGC00025089-05; NCGC00025089-06; NCGC00260858-01; AK-51368; AS-16228; HY-10295; SC-27980; LS-186973; LS-187615; EU-0100173; FT-0743934; SW218110-2; X7402; EC-000.2317; S 7067; SB 202190, >=98% (HPLC); SB 202190/SB-202190; 121S307; SR-01000075720; SR-01000597393; J-513574; J-690315; SR-01000075720-1; SR-01000597393-1; BRD-K54330070-001-05-5; BRD-K54330070-001-07-1; Q27088696; Q27164687; 4-(4-(4-fluorophenyl)-5-(pyridin-4-yl)-2H-imidazol; 4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-phenol; 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenol; 4-[4-(4-Fluorphenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol; FHPI|||4-(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one; 2RE",
"trade_name": "",
"abbrev_name": "",
"description": "p38 MAPK Inhibitor",
"molecular_formula": "C20H14FN3O",
"molecular_weight": "331.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5169",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T205"
],
"function": [
"F02110301"
],
"references": [
"RC03559"
]
},
{
"compound_ID": "D1334",
"name": "MitoTEMPO",
"synonyms": "MitoTEMPO",
"trade_name": "",
"abbrev_name": "MT",
"description": "a specific scavenger of mitochondrial superoxide; antioxidant",
"molecular_formula": "C29H37ClN2O3P",
"molecular_weight": "528",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "73504624",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0505"
],
"references": [
"RC03570"
]
},
{
"compound_ID": "D1335",
"name": "Aminoguanidine hemisulfate salt",
"synonyms": "Aminoguanidine hemisulfate; Hydrazinecarboximidamide, sulfate (2:1); pimagedine hemisulfate; Di(carbazamidine) sulphate; UNII-R13YB310MU; R13YB310MU; AI3-52283; DSSTox_CID_26016; DSSTox_RID_81291; DSSTox_GSID_46016; W-100028; CAS-996-19-0; Aminoguanidine hemisulfate salt; EU-0100050; KSC487Q9R; Guanylhydrazine hemisulfate salt; CHEMBL1567020; DTXSID0046016; CTK3I7898; Aminoguanidine sulphate monohydrate; HMS3260I21; Hydrazinecarboximidamide hemisulfate; KS-00000Y5D; Tox21_111552; Tox21_500050; bis(N-aminoguanidine); sulfuric acid; MFCD00035665; AKOS015902640; Tox21_111552_1; CCG-204146; LP00050; MCULE-4551185793; Aminoguanidine hemisulfate salt, >=98%; NCGC00015082-09; NCGC00093564-01; NCGC00260735-01; AS-64027; A0309; ST51037147; A 7009; Q27287642; F0001-2343",
"trade_name": "",
"abbrev_name": "",
"description": "Inhibits both constitutive and inducible nitric oxide synthetase.",
"molecular_formula": "C2H14N8O4S",
"molecular_weight": "246.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2734952",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1336",
"name": "Hypoglycin A",
"synonyms": "Hypoglycine; Hypoglycine A; Hypoglycin A; 2-Methylenecyclopropanylalanine; 2-Methylenecyclopropanealanine; HYPOGLYCIN; Cyclopropanealanine, 2-methylene-; L-Hypoglycin A; 2-Amino-4,5-methylenehex-5-enoic acid; beta-(Methylenecyclopropyl)alanine; Cyclopropanealanine, 2-methylene, L-; NSC 303803; alpha-Aminomethylenecyclopropanepropionic acid; alpha-Amino-2-methylenecyclopropanepropanoic acid; alpha-Amino-2-methylenecyclopropanepropionic acid; .beta.-(Methylenecyclopropyl)alanine; L-alpha-Amino-beta-methylenecyclopropanepropionic acid; alpha-Amino-beta-(2-methylenecyclopropyl)propionic acid; .alpha.-Aminomethylenecyclopropanepropionic acid; .alpha.-Amino-2-methylenecyclopropanepropionic acid; Cyclopropanepropanoic acid, .alpha.-amino-2-methylene-; 156-56-9; HSDB 3496; L-.alpha.-Amino-.beta.-methylenecyclopropanepropionic acid; .alpha.-Amino-.beta.-(2-methylenecyclopropyl)propionic acid; 2-amino-3-(2-methylidenecyclopropyl)propanoic acid; beta-(Methylenecyclopropyl)alanine (VAN); Cyclopropanepropanoic acid, alpha-amino-2-methylene-; Cyclopropanepropionic acid, alpha-amino-2-methylene-, L-(+)-; S-Hypoglycine A; Cyclopropanealanine, L-; S-Hypoglycine A, 85%; (S)-2-Amino-3-((R)-2-methylenecyclopropyl)propanoic acid; SCHEMBL956162; 2-MethyleneL-Cyclopropanealanine; WLN: L3YTJ AU1 B1YZVQ; CHEBI:136270; 3-(2-Methylenecyclopropyl)alanine; Cyclopropanepropionic acid, L-(+)-; 3-(2-Methylenecyclopropyl)alanine #; NSC303803; AKOS006277118; NSC-303803; LS-58792; FT-0670248; NS00015432; 2-amino-3-(2-methylenecyclopropyl)propanoic acid; 2-amino-3-(2-methylenecyclopropyl)propionic acid; J-009313; Cyclopropanepropionic acid, .alpha.-amino-2-methylene-, L-(+)-; Cyclopropanepropanoic acid, .alpha.-amino-2-methylene-, (.alpha.S,1R)-",
"trade_name": "",
"abbrev_name": "",
"description": "naturally occurring amino acid derivative found in the unripened fruit of the Ackee tree; non-proteinogenic L-alpha-amino acid; phytotoxin; a plant metabolite",
"molecular_formula": "C7H11NO2",
"molecular_weight": "141.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9081",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T056"
],
"function": [
"F02060101"
],
"references": [
"RC01247"
]
},
{
"compound_ID": "D1337",
"name": "4-Pentenoic acid",
"synonyms": "4-PENTENOIC ACID; Pent-4-enoic acid; Allylacetic acid; 591-80-0; Allyl acetic acid; 4 PA; 3-Vinylpropionic acid; delta 4-Pentenoic acid; UNII-D4S77Y29FB; FEMA No. 2843; NSC 9000; EINECS 209-732-7; NSC 20944; .DELTA.4-Pentenoic acid; BRN 1633696; D4S77Y29FB; CHEBI:35936; C5:1n-1; MFCD00004408; 4-Pentenoic acid, 99%; WLN: QV3U1; Allylessigsaeure; 4-Pentensaeure; 4-pentenic acid; delta4-Pentenoic acid; 4-penten-1-oic acid; PubChem20009; Delta(4)-pentenoic acid; 4-Pentenoic acid, 97%; 3-Butene-1-carboxylic acid; ACMC-1AZ41; DSSTox_CID_24448; DSSTox_RID_80236; DSSTox_GSID_44448; 4-02-00-01542 (Beilstein Handbook Reference); KSC269Q9B; SCHEMBL115342; CHEMBL3185583; DTXSID0044448; SCHEMBL13341412; CTK1G9890; FEMA 2843; NSC9000; ACT03062; HY-Y0624; KS-00000P1W; NSC-9000; NSC20944; ZINC1648357; Tox21_302069; ANW-33186; BBL027458; LMFA01030007; NSC-20944; RW1860; s6268; SBB061214; STL280305; pent-4-enoic acid;Pent-4-enoic acid; AKOS006221010; CS-W009138; LS-3018; LS41473; NCGC00188966-01; NCGC00255889-01; AK101068; AS-11763; CAS-591-80-0; SC-25836; 4-Pentenoic acid, >=98%, stabilized, FG; FT-0676299; NS00021234; P0645; ST51047261; EN300-64825; J-519555; Q27116641; F2190-0007; Z1259161671",
"trade_name": "",
"abbrev_name": "",
"description": "mono-carboxylic acid; straight chain fatty acids",
"molecular_formula": "C5H8O2",
"molecular_weight": "100.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "61138",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC01248"
]
},
{
"compound_ID": "D1338",
"name": "2-bromooctanoic acid",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "blocks the formation of polyhydroxyalkanoic acid in Pseudomonas fluorescens BM07; inhibits beta-oxidation of fatty acids",
"molecular_formula": "C8H15BrO2",
"molecular_weight": "223.11",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "552003",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC01249"
]
},
{
"compound_ID": "D1339",
"name": "2-tetradecylglycidic acid",
"synonyms": "palmoxiric acid; 2-Tetradecylglycidic acid; Palmoxirate acid; McN-3802; Palmoxiric Acid [INN]; 68170-97-8; Acide palmoxirique [French]; Acido palmoxirico [Spanish]; Acidum palmoxiricum [Latin]; 2-tetradecyloxirane-2-carboxylic acid; McN 3802; 2-Tetradecyloxiranecarboxylic acid; CHEMBL12394; Acido palmoxirico; Acide palmoxirique; Acidum palmoxiricum; 2-tetradecyl-2-oxiranecarboxylic acid; (plusmn) acid 3; ( -)-2-Tetradecyl-2-oxiranylcarbonsaeure; (+-)-2-Tetradecyl-2-oxiranylcarbonsaeure; GTPL2683; SCHEMBL1579204; CTK5C7462; BDBM50024431; 2-Tetradecyl-oxirane-2-carboxylic acid; LS-176647; (+/-)2-Tetradecyl-oxirane-2-carboxylic acid; Q27088241",
"trade_name": "",
"abbrev_name": "",
"description": "orally active inhibitor of long-chain fatty acid oxidation with hypoglycemic activity",
"molecular_formula": "C17H32O3",
"molecular_weight": "284.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "71976",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC01250"
]
},
{
"compound_ID": "D1340",
"name": "2-bromopalmitic acid",
"synonyms": "2-Bromohexadecanoic acid; 18263-25-7; 2-Bromopalmitic acid; Hexadecanoic acid, 2-bromo-; 2-bromo-hexadecanoic acid; alpha-Bromopalmitic acid; Hexadecanoic acid,2-bromo-; .alpha.-Bromopalmitic acid; C16H31BrO2; CHEMBL118417; 2-Bromopalmitate; 2-bromopalmitate, (+-)-isomer; EINECS 242-137-0; NSC 58378; bromohexadecanoic acid; ACMC-1C7OL; 2-bromanylhexadecanoic acid; DSSTox_CID_17734; DSSTox_RID_79368; NCIOpen2_007723; DSSTox_GSID_37734; SCHEMBL97565; DTXSID0037734; CTK4D8252; 2-Bromohexadecanoic acid, ~97%; CHEBI:133152; NSC58378; ZX-AT022731; Tox21_301033; BDBM50148454; LMFA01090011; MFCD00004215; NSC-58378; SBB071635; AKOS003404931; AKOS017343270; MCULE-7613431163; OR10833; VZ24096; ACM18263257; NCGC00164251-01; NCGC00164251-02; NCGC00254935-01; AS-59253; CC-09685; L213; CAS-18263-25-7; LS-174823; 2-Bromohexadecanoic acid, >=99.0% (GC); FT-0611564; NS00026011; ST45026694; 2-Bromohexadecanoic acid, purum, >=97.0% (GC); A812715; C-20189; J-011689; Q27268159",
"trade_name": "",
"abbrev_name": "",
"description": "bromo fatty acid that is hexadecanoic (palmitic) acid; a straight-chain fatty acid; a long-chain fatty acid; inhibitor of fatty acid oxidation",
"molecular_formula": "C16H31BrO2",
"molecular_weight": "335.32",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "82145",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC01251"
]
},
{
"compound_ID": "D1341",
"name": "Palmitoylcarnitine",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "inhibitor of fatty acid oxidation; inhibiting carnitine acetyltransferase (CAT) and carnitine palmitoyltransferase (CPT); hypoglycemic and antiketogenic compound",
"molecular_formula": "C23H45NO4",
"molecular_weight": "399.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "461",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC01252"
]
},
{
"compound_ID": "D1342",
"name": "Barbiturate",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "anxiolytics; anticonvulsants; Sedative hypnotics",
"molecular_formula": "C4H3N2O3-",
"molecular_weight": "127.08",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3262018",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0201"
],
"references": [
"RC03645"
]
},
{
"compound_ID": "D1343",
"name": "Maneb",
"synonyms": "MANEB; 12427-38-2; Manganese ethylenebisthiocarbamate; manganese(2+) ethane-1,2-diylbis(dithiocarbamate); Rhodianebe; Farmaneb; Manebgan; Manesan; Manzate; Sopranebe; Tubothane; Maneba; Manex; Nereb; Nespor; AAmangan; Agrox flowable; Griffin manex; Unicrop maneb; Chem neb; Chloroble M; Curzate M; Lonocol M; Manzate D; Polyram M; M-Diphar; Akzo chemie maneb; Granol NM; Maneb-R; Manebe [French]; Tersan LSR; Trimangol 80; Luxan maneb 80; MnEBD; Vancide maneb 80; Plantifog 160M; Remasan chloroble M; Vancide Maneb 90; Agrox N-M; Maneb ZL4; Kypman 80; Manebe 80; Dithane M 22; Maneb 80; Caswell No. 539; Maneb [BSI:ISO]; F 10 (Pesticide); Manebe [ISO-French]; Manzate maneb fungicide; Dithane M 22 special; BASF-maneb spritzpulver; Manganese ethylene-1,2-bisdithiocarbamate; UNII-K221E12G7T; CCRIS 1107; HSDB 4063; Ethylenebisdithiocarbamate manganese; EINECS 235-654-8; Manganeseethylene-bis-dithiocarbamate; Manganous ethylenebis(dithiocarbamate); UN2210; UN2968; ENT 14,875; EPA Pesticide Chemical Code 014505; Ethylenebis(dithiocarbamato), manganese; CR 3029; Manganese, ((1,2-ethanediylbis(carbamodithioato))(2-))-; AI3-14875; Manganese(II) ethylene di(dithiocarbamate); Manganese, (ethylenebis(dithiocarbamato))-; 8018-01-7; DSSTox_CID_794; 1,2-Ethylenediylbis(carbamodithioato)manganese; Ethylenebis(dithiocarbamic acid) manganous salt; DSSTox_RID_75793; DSSTox_GSID_20794; Manganese ethylenebis(dithiocarbamate) (polymeric); SCHEMBL20721; 1,2-Ethanediylbis(carbamodithioato)(2-)-manganese; Carbamic acid, ethylenebis(dithio-, manganese salt; Maneb or maneb preparations, with not <60% maneb; 1,2-Ethanediylbismaneb, manganese(2+) salt (1:1); N,N'-Ethylene bis(dithiocarbamate manganeux) [French]; 1,2-Ethanediylbiscarbamodithioic acid, manganese complex; DTXSID9020794; Mangan(II)-(N,N-aethylen-bis(dithiocarbamat)) [German]; N,N'-Etilen-bis(ditiocarbammato) di manganese [Italian]; Mangaan(II)-(N,N'-ethyleen-bis(dithiocarbamaat)) [Dutch]; K221E12G7T; 1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1); Ethylenebis(dithiocarbamato)manganese; Tox21_300826; Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1); LS-7478; Manganese, [[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-.kappa.S,.kappa.S']-; NCGC00163729-03; NCGC00163729-04; NCGC00254730-01; Manganese ethylene-1,2-bis-dithiocarbamate; CAS-12427-38-2; DB-041771; manganese ethane-1,2-diyldicarbamodithioate; 88535-EP2298077A1; 88535-EP2301353A1; 88535-EP2305031A1; 88535-EP2305035A1; Manganese(2+) ethane-1,2-diyldicarbamodithioate; Manganese ethylene-1,2-bisdithiocarbamate, polymer; Q409156; [ethane-1,2-diylbiscarbamodithioato(2-)-kappaS]manganese; Maneb or maneb preparations, stabilized against self-heating; UNII-YZV3TC1UNI component YKSNLCVSTHTHJA-UHFFFAOYSA-L; [{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']manganese; Maneb or maneb preparations with not <60% maneb [UN2210] [Spontaneously combustible]; manganese(+2) cation: [2-(sulfidocarbothioylamino)ethylamino]methanedi thioate; Manganese, ((2-((dithiocarboxy)amino)ethyl)carbamodithioato(2-)-kappaS,kappaS')-; 301-03-1; Maneb stabilized or Maneb preparations, stabilized against self-heating [UN2968] [Dangerous when wet]",
"trade_name": "",
"abbrev_name": "MB",
"description": "fungicide; a polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand",
"molecular_formula": "C4H6MnN2S4",
"molecular_weight": "265.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3032581",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004"
],
"function": [],
"references": [
"RC03652"
]
},
{
"compound_ID": "D1344",
"name": "erastin",
"synonyms": "ERASTIN; 571203-78-6; 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone; 2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one; 2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one; 2-[1-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4-quinazolinone; CHEMBL401989; SCHEMBL4457820; Erastin, >=98% (HPLC); CHEBI:94287; CTK1G7671; AOB6043; DTXSID80458949; EX-A295; HMS3653K21; HMS3868M03; BCP27907; 2400AH; BDBM50376126; MFCD09837984; s7242; AKOS025147365; CCG-269987; CS-1675; SB19588; KS-0000002U; NCGC00351608-10; NCGC00351608-14; AK473987; AS-55898; DA-42059; HY-15763; QC-11375; AB0098412; FT-0700333; SW208651-2; C21478; BRD-A25004090-001-01-9; BRD-A25004090-001-02-7; BRD-A25004090-001-06-8; Q27166099; 4(3H)-Quinazolinone, 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-",
"trade_name": "",
"abbrev_name": "",
"description": "oncogenic RAS-selective lethal small molecule; initiating ferroptotic cell death; binds and inhibits VDAC2 and VDAC3; inhibits the cystine-glutamate antiporter system Xc-",
"molecular_formula": "C30H31ClN4O4",
"molecular_weight": "547",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11214940",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T217"
],
"function": [
"F0702"
],
"references": [
"RC03663",
"RC03665"
]
},
{
"compound_ID": "D1345",
"name": "deferoxamine",
"synonyms": "deferoxamine; Desferrioxamine B; DESFERRIOXAMINE; 70-51-9; Deferoxamine B; Deferrioxamine B; Deferrioxamine; Deferoxamin; Deferoxaminum; Desferin; DFOM; Desferan; Desferex; Desferral; Desferrin; N-Benzoylferrioxamine B; Desferal; DF B; DFOA; Deferoxamide B; Deferoxamina; NSC-527604; Ferrioxamine B, N-benzoyl-; Desferriferrioxamin B; Deferoxamine [USAN:INN]; UNII-J06Y7MXW4D; Deferoxaminum [INN-Latin]; Deferoxamina [INN-Spanish]; N1-(5-Aminopentyl)-N1-hydroxy-N4-(5-(N-hydroxy-4-((5-(N-hydroxyacetamido)pentyl)amino)-4-oxobutanamido)pentyl)succinamide; HSDB 3311; EINECS 200-738-5; Ba 33112; Ba-33112; BRN 2514118; J06Y7MXW4D; CHEBI:4356; NSC527604; 3,9,14,20,25-Pentaazatriacontane-2,10,13,21,24-pentone, 30-amino-3,14,25-trihydroxy-; 30-Amino-3,14,25-trihydroxy-3,9,14,20,25-pentaazatriacontane-2,10,13,21,24-pentaone; Butanediamide, N'-(5-((4-((5-(acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxy-; C25H48N6O8; 1-Amino-6,17-dihydroxy-7,10,18,21-tetraoxo-27-(N-acetyl hydroxylamino)-6,11,17,22-tetraazaheptaeicosane; Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-; N'-(5-((4-((5-(Acetylhydroxamino)pentyl)amino)-1,4-dioxobutyl) hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxybutanediamide; N-(5-(3-((5-Aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)propionohydroxamic acid; Propionohydroxamic acid, N-(5-(3-((5-aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)-; Q-200933; MLS002702118; N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide; NSC268993; NSC644468; SMR000058548; Cordaneurin; Desferrioxamin; Perineurin; Desferioxamine B; desferrioxamine-B; N'-{5-[acetyl(hydroxy)amino]pentyl}-N-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N-hydroxybutanediamide; N-(5-{3-((5-Aminopentyl)hydroxycarbamoyl)propionamido}pentyl)-3-{(5-(N-hydroxyacetamido)pentyl)carbamoyl}propionohydroxamic acid; N-[5-(3-[(5-Aminopentyl)hydroxycarbamoyl]propionamido)pentyl]-3-([5-(N-hydroxyacetamido)pentyl]carbamoyl)propionohydroxamic acid; Propionohydroxamic acid, N-[5-[3-[(5-aminopentyl)hydroxycarbamoyl]propionamido]pentyl]-3-[[5-(N-hydroxyacetamido)pentyl]carbamoyl]-; Deferoxamine (USAN); Desferal (Salt/Mix); Spectrum_000892; N-benzoyl-Ferrioxamine B; 1950-39-6; Prestwick0_000725; Prestwick1_000725; Prestwick2_000725; Prestwick3_000725; Spectrum2_001155; Spectrum3_000376; Spectrum4_000311; Spectrum5_000827; CHEMBL556; EC 200-738-5; SCHEMBL34571; BSPBio_000650; BSPBio_002131; KBioGR_000922; KBioGR_002429; KBioSS_001372; KBioSS_002435; cid_62881; DivK1c_000082; Ba 29837 (Salt/Mix); SPBio_001109; SPBio_002589; BPBio1_000716; CGH-749B; ICL-749B; DTXSID7022887; BDBM47715; CTK8B9180; KBio1_000082; KBio2_001372; KBio2_002429; KBio2_003940; KBio2_004997; KBio2_006508; KBio2_007565; KBio3_001351; KBio3_002908; cMAP_000047; NINDS_000082; HMS3604E17; BCP16524; ZINC3830635; 0917AC; ANW-62156; LMFA08020169; WLN: Z5NQV/2VM5NQV/ 21; DEFEROXAMINE, Deferoxamine Mesylate; AKOS016004824; DB00746; MCULE-3095507442; IDI1_000082; SMP2_000121; NCGC00178802-01; NCGC00178802-02; NCGC00178802-03; N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide; NCI60_002181; SMR001550278; SBI-0051332.P003; AX8233947; LS-124964; 2C10H20N2O3.C5H13N.C3H7NO2; AB00053447; NS00007870; C06940; D03670; 15182-EP2316832A1; 15182-EP2316833A1; AB00053447_14; 070D519; Q419618; BRD-K09821361-066-05-0; BRD-K09821361-066-06-8; BRD-K09821361-066-08-4; BRD-K09821361-066-13-4; BRD-K09821361-066-15-9; BRD-K09821361-066-16-7; Deferoxamine B; Deferriferrioxamine B; Deferrioxamine; 3,14,20,25-Pentaazatriacontane-2,10,13,21,24-pentone, 30-amino-3,14,25-trihydroxy-; 30-Amino-3,25-trihydroxy-3,9,14,20,25-pentaazatriacontane-2,10,13,21,24-pentaone; Butanediamide,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-; Deferoxamine mesilate;Deferoxamine mesylate;N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxysuccinamide monohydrochloride;Deferoxamine;deferoxamine; N''''-(5-azanylpentyl)-N-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]-N''''-oxidanyl-butanediamide;methanesulfonic acid; N'-[5-(acetyl-hydroxy-amino)pentyl]-N-[5-[3-(5-aminopentyl-hydroxy-carbamoyl)propanoylamino]pentyl]-N-hydroxy-butane diamide; N'-{5-[acetyl(hydroxy)amino]pentyl}-N-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N-hydroxybutanediamide; N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-1,4-dioxobutyl]-hydroxyamino]pentyl]-N''''-(5-aminopentyl)-N''''-hydroxybutanediamide;methanesulfonic acid; N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-keto-butanoyl]-hydroxy-amino]pentyl]-N''-(5-aminopentyl)-N''-hydroxy-succinamide;mesylic acid; N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N''''-(5-aminopentyl)-N''''-hydroxybutanediamide;methanesulfonic acid; N~1~-(5-(Acetyl(hydroxy)amino)pentyl)-N~4~-(5-((4-((5-aminopentyl)(hydroxy)amino)-4-oxobutanoyl)amino)pentyl)-N~4~-hydroxysuccinamide; N~4~-{5-[Acetyl(hydroxy)amino]pentyl}-N~1~-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N~1~-hydroxybutanediamide; Propionohydroxamic acid, N-[5-(3-[(5-aminopentyl)hydroxycarbamoyl]propionamido)phentyl]-3-([5-(N-hydroxyacetamido)pentyl]carbamoyl)-; Propionohydroxamic acid, N-[5-[3-[(5-aminopentyl)hydroxycarbamoyl]propionamido]pentyl]-3-[(5-N-hydroxyacetamido)pentyl]carbamoyl]-",
"trade_name": "Desferal",
"abbrev_name": "DFO; DFOA",
"description": "iron chelator",
"molecular_formula": "C25H48N6O8",
"molecular_weight": "560.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Deferoxamine mesylate is metabolized principally by plasma enzymes, but the pathways have not yet been defined. Some is also excreted in the feces via the bile.",
"protein_binding": "Less than 10% bound to serum proteins <i>in vitro</i>.",
"half_life": "Biphasic elimination pattern in healthy volunteers with a first rapid phase half life of 1 hour and a second slow phase half-life of 6 hours.",
"absorption": "Deferoxamine is rapidly absorbed after intramuscular or subcutaneous administration, but only poorly absorbed from the gastrointestinal tract in the presence of intact mucosa.",
"cid": "2973",
"classification": "V",
"indications": "",
"side_effects": "",
"atc_codes": "V03AC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0702"
],
"references": [
"RC03664"
]
},
{
"compound_ID": "D1346",
"name": "U0126",
"synonyms": "U0126; 109511-58-2; U-0126; U 0126; 1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene; (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile; UNII-8027P94HLL; CHEBI:64208; 8027P94HLL; C18H16N6S2; 218601-62-8; FT-1069-1; Succinonitrile, bis(amino(o-aminophenylthio)methylene)-; Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-; (2z)-Bis{amino[(2-Aminophenyl)sulfanyl]methylidene}butanedinitrile; (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile; (2Z,3Z)-bis({amino[(2-aminophenyl)sulfanyl]methylidene})butanedinitrile; 1,4-Diamino-2,3-dicyano-1,4-bis[2-aminophenylthio]butadiene; UO-126; BiomolKI_000002; BiomolKI2_000012; BMK1-B2; BSPBio_001224; CHEMBL34704; GTPL5282; CHEBI:90693; CHEBI:91463; DTXSID10892034; HMS1362N05; HMS1792N05; HMS1990N05; HMS3403N05; HMS3414K05; HMS3678K05; BCP01851; EX-A1754; ABP000921; HY-12031A; MFCD01861186; (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylene]butanedinitrile; AKOS024456414; ZINC100007148; CCG-100606; LS40194; IDI1_002207; SMP2_000197; NCGC00025029-02; NCGC00025029-03; NCGC00025029-04; LS-182537; CS-0003351; U 126; V2422; U0126/U-0126; SR-01000597365; J-002297; Q7863562; SR-01000597365-1; BRD-K18787491-001-04-5; BRD-K46419649-001-01-8; (2Z,3Z)-2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile; Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-, (2Z,3Z)-; 5BM",
"trade_name": "",
"abbrev_name": "",
"description": "a highly selective inhibitor of both MEK1 and MEK2,",
"molecular_formula": "C18H16N6S2",
"molecular_weight": "380.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3006531",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0702"
],
"references": [
"RC03667"
]
},
{
"compound_ID": "D1347",
"name": "trolox",
"synonyms": "trolox; 53188-07-1; 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid; TROLOX C; 6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid; 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid; 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-; EINECS 258-422-8; BRN 5052542; CHEBI:82625; 56305-04-5; AK116067; (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid; Trolox(R), 97%; 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic acid; 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+-)-; 6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxylic acid; 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid; Trolox®; Trolox(TM); Prestwick_855; MFCD00006846; ACMC-20apju; ACMC-1ATBW; Prestwick0_000530; Prestwick1_000530; Prestwick2_000530; Prestwick3_000530; CHEMBL153; SCHEMBL3226; Oprea1_727377; BSPBio_000519; MLS002153860; SPBio_002440; BPBio1_000571; (2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid; (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid; CTK1H0082; DTXSID60866306; HMS1569J21; HMS2096J21; HMS2230A15; HMS3369E20; HMS3713J21; 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLICACID; BCP16474; KS-000015YX; 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid; ANW-31653; BBL103047; BDBM50359629; GEO-03688; s3665; SBB005933; STL556856; AKOS015856256; API0004530; CCG-207912; CS-8035; MCULE-8649288753; NCGC00179534-01; AS-30121; CC-22776; LS-39163; SC-94697; SMR001233218; ST057520; AX8109302; DB-052268; DB-071631; HY-101445; FT-0621156; FT-0770514; NS00015501; C-30819; Q245489; SR-01000841227; SR-01000841227-2; BRD-A17846016-001-03-0; BRD-A17846016-001-07-1; 6-hydroxy-2,5,7,8-tetramethychroman-2-carboxylic acid; 6-Hydroxy-2,5,7,8-tetramethyl-2-chromancarboxylic acid; 6-Hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic acid #; 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid; (6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)carboxylic acid; (+/-)- 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid; (+/-)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid; (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, 97%; 2H-1-Benzopyran-2-carboxylicacid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-; 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzo-pyran-2-carboxylic Acid; 6-hydroxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid",
"trade_name": "",
"abbrev_name": "",
"description": "anti-oxidant ; water-soluble analog of vitamin E",
"molecular_formula": "C14H18O4",
"molecular_weight": "250.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "40634",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0702"
],
"references": [
"RC03668"
]
},
{
"compound_ID": "D1348",
"name": "Wortmannin",
"synonyms": "wortmannin; 19545-26-7; Wartmannin; KY 12420; Antibiotic SL-2052; SL-2052; UNII-XVA4O219QW; NSC221019; XVA4O219QW; MLS002703028; CHEMBL428496; CHEBI:52289; Wortmannin, 98%; Pi 3-Kinase Inhibitor; NSC 627609; BRN 0067676; (1alpha,11alpha)-11-(Acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione; (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-; wortmanin; C23H24O8; NSC627609; Wortmannin, Wm; MFCD00133927; nchembio866-comp1; KY-12420; SCHEMBL4531; BSPBio_001232; 4-19-00-03134 (Beilstein Handbook Reference); cid_312145; GTPL6060; MEGxm0_000446; DTXSID8040642; Wortmannin,Penicillium wortmannin; ACon0_000951; BDBM15234; KS-00001CQL; BIW4201; ZX-AFC000406; HMS1792N13; HMS1990N13; HMS3403N13; EX-A1930; ZINC1619592; 2100AH; 2803AH; s2758; ST-415; CCG-208290; CS-5073; DB08059; KY12420; NSC-221019; NSC-627609; Wortmannin, from Penicillium funiculosum; Wortmannin; SL-2052; KY-12420; NCGC00163485-01; NCGC00163485-02; BS-16306; HY-10197; NCI60_001835; SMR001566836; C15181; 44665-EP2277881A1; 44665-EP2277898A2; 44665-EP2292227A2; 44665-EP2301533A1; 44665-EP2311818A1; CU-00000000011-1; J-012661; BRD-K87343924-001-02-4; 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE; Wortmannin solution, 100 mug/mL in acetonitrile, analytical standard; Wortmannin, from Penicillium funiculosum, >=98% (HPLC and TLC); 3H-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,; (1R,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b- decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,; 2-Oxaandrosta-5,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-; 3H-Furo[4,2-de]indeno[4,5,-h]-2-benzopyran-3,6,9-trione, 11-(Acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR); 3H-Furo[4,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR); 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-; 6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-; octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, [1S-(1alpha,6baalpha,9abeta,11alpha,11bbeta)]-",
"trade_name": "",
"abbrev_name": "Wtmn",
"description": "PI3K family inhibitor; suppress cellular autophagy and Akt phosphorylation; PI3K family inhibitor; suppress cellular autophagy and Akt phosphorylation; organic heteropentacyclic compound; a delta-lactone; an acetate ester; a cyclic ketone",
"molecular_formula": "C23H24O8",
"molecular_weight": "428.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "312145",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030801"
],
"references": [
"RC03718"
]
},
{
"compound_ID": "D1349",
"name": "Dicoumarol",
"synonyms": "dicumarol; dicoumarol; 66-76-2; Bishydroxycoumarin; dicoumarin; melitoxin; bis-hydroxycoumarin; Antitrombosin; Baracoumin; Dicoumal; Dicumarine; Acadyl; Acavyl; Dicuman; Dicumol; Trombosan; Dufalone; Kumoran; Temparin; Cumid; Cuma; Dicumaol R; 3,3'-Methylenebis(4-hydroxycoumarin); Bis(4-hydroxycoumarin-3-yl)methane; Anathrombase; Dicoumarolum; Apekumarol; Dicoumerol; Dicumarinum; Dicumarolum; Bis-3,3'-(4-hydroxycoumarinyl)methane; Di-(4-hydroxy-3-coumarinyl)methane; Dicumarolo [DCIT]; Dwukumarol [Polish]; 3,3'-methylenebis(4-hydroxy-2H-chromen-2-one); Di-4-hydroxy-3,3'-methylenedicoumarin; Dicumarol [INN-Spanish]; Dicoumarolum [INN-Latin]; 3,3'-Methylen-bis(4-hydroxy-cumarin); 3,3'-Methylenebis(4-hydroxy-2H-1-benzopyran-2-one); Dicumarol [USAN]; 3,3'-Methylene-bis(4-hydroxycoumarine); 3,3'-Methylenebis(4-hydroxy-1,2-benzopyrone); NC 034; 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy-; 3,3'-Metilen-bis(4-idrossi-cumarina); 3,3'-Methyleen-bis(4-hydroxy-cumarine); 3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one); UNII-7QID3E7BG7; C19H12O6; NSC 17860; Dicoumarol (INN); 3,3'-Methylenebis[4-hydroxycoumarin]; Dicumarol (USAN); NSC 221570; 3,3'-Methylene-bis(4-hydroxycoumarin); CCRIS 3713; Bis-3,3'-(4-oxycoumarinyl)ethylacetate; Coumarin, 3,3'-methylenebis(4-hydroxy-; HSDB 3223; 4,4'-Dihydroxy-3,3'-methylene bis coumarin; EINECS 200-632-9; NSC 41834; 3,3'-Methylen-bis(4-hydroxy-cumarin) [German]; 3,3'-Methyleen-bis(4-hydroxy-cumarine) [Dutch]; 3,3'-Methylene-bis(4-hydroxycoumarine) [French]; 3,3'-Metilen-bis(4-idrossi-cumarina) [Italian]; BRN 0335444; 7QID3E7BG7; CHEMBL1466; 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one; AI3-14546; CHEBI:4513; Dicoumarol [INN]; NSC17860; NSC41834; 3,2-benzopyrone]; Dicumarol, 99%; 2H-1-Benzopyran-2-one), 3,3'-methylenebis(4-hydroxy-; CAS-66-76-2; NCGC00016296-01; Dicumarolo; Dikumarol; Dwukumarol; 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one; DSSTox_CID_1729; 3,3'-Methylenebis[4-hydroxy-1,2-benzopyrone]; DSSTox_RID_76296; DSSTox_GSID_21729; CHEMBL43154; 3,3'-Methylenebis[4-hydroxy-2H-1-benzopyran-2-one]; 2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy-; Coumarin,3'-methylenebis[4-hydroxy-; Dicumarol (TN); NSC221570; WLN: T66 BOVJ EQ D1- DT66 BOVJ EQ; SR-05000001605; Dicumarol [USAN:USP]; 2H-1-Benzopyran-2-one,3'-methylenebis[4-hydroxy-; 2H-1-Benzopyran-2-one],3'-methylenebis[4-hydroxy-; 4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-2H-chromen-2-one; symmetric dicoumarol analogue, 1; uncoupler of oxidative respiration; Prestwick_90; Spectrum_000165; 3,3′-Methylenebis(4-hydroxycoumarin); Prestwick0_000785; Prestwick1_000785; Prestwick2_000785; Prestwick3_000785; Spectrum2_000144; Spectrum3_000387; Spectrum4_000508; Spectrum5_000871; M0216; ChemDiv2_003436; Oprea1_150990; SCHEMBL33891; SCHEMBL33892; BSPBio_000890; BSPBio_002173; CBDivE_003005; KBioGR_001055; KBioSS_000645; 5-19-06-00682 (Beilstein Handbook Reference); DivK1c_000896; SPECTRUM1500239; SPBio_000248; SPBio_002829; BPBio1_000980; GTPL6808; 2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy)-; DTXSID8021729; BDBM35525; CTK5C5178; HMS502M18; KBio1_000896; KBio2_000645; KBio2_003213; KBio2_005781; KBio3_001393; NINDS_000896; HMS1378M04; HMS1570M12; HMS1920E20; HMS2091M10; HMS2097M12; HMS3652P10; HMS3714M12; HMS3744M19; HMS3865F03; Pharmakon1600-01500239; HY-N0645; ZINC3869855; Tox21_110357; 3,3'-Methylenbis(4-hydroxycumarin); 3,3-methylenebis(4-hydroxycoumarin); BBL008904; CCG-34550; MFCD00006857; NSC-17860; NSC756733; s4299; STK801287; AKOS000520650; Tox21_110357_1; CS-7962; DB00266; MCULE-8095183287; NSC-756733; VZ31493; IDI1_000896; NCGC00016296-02; NCGC00016296-03; NCGC00016296-04; NCGC00016296-05; NCGC00016296-07; NCGC00094650-01; NCGC00094650-02; AS-19619; LS-55258; SBI-0051343.P003; FT-0624734; H2893; NS00001589; SW196402-3; Y1603; 3,3''''''''-methylenebis[4-hydroxycoumarin; 3,3'-Methylene-bis(4-hydroxycoumarin), 99%; A14241; C00796; D03798; 3,3''''''''-methylenebis(4-hydroxy-coumarin; 3,3''''''''-methylenebis(4-hydroxycoumarin); AB00051966_05; Coumarin, 3,3'-methylenebis[4-hydroxy- (8CI); Q420886; SR-05000001605-1; SR-05000001605-3; SR-05000001605-4; W-203471; 2H-1-Benzopyran-2-one,3,3'-methylenebis[4-hydroxy-; BRD-K82236179-001-05-0; BRD-K82236179-001-06-8; Z57170530; 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- (9CI); Dicumarol, United States Pharmacopeia (USP) Reference Standard; 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)methyl]chromen-2-one",
"trade_name": "",
"abbrev_name": "",
"description": "a naturally occurring anticoagulant drug that depletes stores of vitamin K; inhibitor of reductases; competitive inhibitor of vitamin K epoxide reductase; 4-hydroxycoumarin anticoagulant drug class",
"molecular_formula": "C19H12O6",
"molecular_weight": "336.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "54676038",
"classification": "B",
"indications": "",
"side_effects": "",
"atc_codes": "B01AA01",
"group": "Drug",
"drug_type": "",
"target": [
"T080001"
],
"function": [],
"references": [
"RC03748"
]
},
{
"compound_ID": "D1350",
"name": "AZD7545",
"synonyms": "AZD7545; 252017-04-2; AZD-7545; 4-[(3-Chloro-4-{[(2r)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropanoyl]amino}phenyl)sulfonyl]-N,N-Dimethylbenzamide; CHEMBL1231132; 4-{3-chloro-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamido]benzenesulfonyl}-N,N-dimethylbenzamide; Benzamide, 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-; AZD 7545; 2q8g; C19H18ClF3N2O5S; GTPL9362; SCHEMBL6350247; AOB6866; 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide; AZD-7547; BCP07524; EX-A1208; KS-00000RM2; ZINC1547088; 2244AH; BDBM50236535; s7517; AKOS027326647; AZD 7545;AZD-7545; CCG-269530; CS-1740; DB07403; NCGC00250391-01; NCGC00250391-07; 4-[[3-Chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethylbenzamide; AK322219; AS-75033; HY-16082; A14157; BRD-K52836380-001-01-7; Q27096623; (R)-N-[2-Chloro-4-[[4-(dimethylcarbamoyl)phenyl]sulfonyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide; (R)-N-{2-Chloro-4-[4-(N,N-dimethylcarbamoyl)phenylsulphonyl]phenyl}-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide; AZX",
"trade_name": "AZD7545 (AstraZeneca)",
"abbrev_name": "",
"description": "a novel, selective small-molecule inhibitor of PDHK2 (PDH kinase2) with an IC50 of 36.8 nM and 6.4 nM for PDHK1 and PDHK2 respectively",
"molecular_formula": "C19H18ClF3N2O5S",
"molecular_weight": "478.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16741245",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T080001"
],
"function": [],
"references": [
"RC03746",
"RC03749"
]
},
{
"compound_ID": "D1351",
"name": "VER-246608",
"synonyms": "VER-246608; 1684386-71-7; CHEMBL3727577; N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-N-(4-{[(Difluoroacetyl)amino]methyl}benzyl)-2,4-Dihydroxybenzamide; N-(4-(2-chloro-5-methylpyrimidin-4-yl)phenyl)-N-(4-((2,2-difluoroacetamido)methyl)benzyl)-2,4-dihydroxybenzamide; N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide; GTPL9350; SCHEMBL16586236; 4v25; BCP29722; EX-A3785; BDBM50236530; HY-12492; CS-0011787; VER 246608; VER246608; Q27465596; SZ6",
"trade_name": "",
"abbrev_name": "",
"description": "a potent and ATP-competitive inhibitor of pyruvate dehydrogenase kinase (PDK) with IC50s of 35 nM, 40 nM, 84 nM, and 91 nM for PDK-1, PDK-3, PDK-2, and PDK-4, respectively",
"molecular_formula": "C28H23ClF2N4O4",
"molecular_weight": "553",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "86280454",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T080001"
],
"function": [],
"references": [
"RC03750"
]
},
{
"compound_ID": "D1352",
"name": "JX06",
"synonyms": "Dimorpholinethiuram disulfide; 729-46-4; 4-Morpholinethiocarbonyl disulfide; Bis(morpholinothiocarbonyl) disulfide; Morpholine, 4,4'-(dithiodicarbonothioyl)bis-; DISULFIDE, BIS(MORPHOLINOTHIOCARBONYL); Bis(4-morpholinothiocarbonyl) disulfide; 4,4'-(Dithiodicarbonothioyl)dimorpholine; Disulfide, bis(4-morpholinylthioxomethyl); NSC 402538; UNII-72G763P0UO; Bis(morpholinothiocarbonyl)disulfide; morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate; EINECS 211-980-6; Thiuram disulfide, bis(oxydi-2,1-ethanediyl)-; NSC-402538; BRN 0276307; 4,4'-(Dithiodicarbonothioyl)bismorpholine; AI3-01690; MLS003171519; CHEMBL121556; JX06; 72G763P0UO; NSC402538; Morpholine,4,4'-(dithiodicarbonothioyl)bis-; 4-27-00-00313 (Beilstein Handbook Reference); DTXSID4052471; SCHEMBL11172136; CTK5D7131; Dithiobis(morpholinomethanethione); Thiuram disulfide,1-ethanediyl)-; JX 06; ZINC1594973; BDBM50414944; Di(4-morpholinyl)dithioperoxyanhydride; AKOS016036660; MCULE-5911488808; HY-19564; LS-63065; Morpholine,4'-(dithiodicarbonothioyl)bis-; SMR001875403; CS-0015656; NS00037445; Q27266070",
"trade_name": "",
"abbrev_name": "",
"description": "a potent, selective and covalent pyruvate dehydrogenase kinase (PDK) 1/2/3 inhibitor with IC50 values of 49, 101 and 313 nM for PDK1, PDK2 and PDK3, respectively.",
"molecular_formula": "C10H16N2O2S4",
"molecular_weight": "324.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12892",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T080001"
],
"function": [],
"references": [
"RC03751"
]
},
{
"compound_ID": "D1353",
"name": "ZLN005",
"synonyms": "ZLN005; 49671-76-3; 2-(4-tert-butylphenyl)-1H-benzimidazole; 2-(4-(tert-butyl)phenyl)-1H-benzo[d]imidazole; 2-(4-tert-butylphenyl)-1H-benzo[d]imidazole; AK175832; CBMicro_034305; 1H-Benzimidazole, 2-[4-(1,1-dimethylethyl)phenyl]-; SCHEMBL6755306; CHEMBL4303368; CTK1C6843; AOB6265; DTXSID60358473; EX-A690; ZLN 005; HMS3653P03; ZINC477459; ZLN-005 pound>>ZLN 005; 2-(4-t-butylphenyl) benzimidazole; BCP08848; KS-00001D9B; s7447; STK395157; AKOS003029495; 2-[4-(tert-butyl)phenyl]benzimidazole; CCG-266970; CS-2189; MCULE-2572912092; NCGC00371152-01; AS-55878; DA-05489; HY-17538; QC-11350; 2-(4-tert-Butylphenyl)-1H-benzoimidazole; BIM-0034399.P001; AB0098402; FT-0700319; ST50431739; SW219815-1; A13734; 2-[4-(tert-butyl)phenyl]-1H-1,3-benzimidazole; J-690308; (1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracycl o[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2- methylpropanoate",
"trade_name": "",
"abbrev_name": "",
"description": "Selective transcriptional regulator of peroxisome proliferator-activated receptor-gamma coactivator-1alpha (PGC-1alpha).",
"molecular_formula": "C17H18N2",
"molecular_weight": "250.34",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "899323",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T419"
],
"function": [
"F08"
],
"references": [
"RC03753"
]
},
{
"compound_ID": "D1354",
"name": "AICAR",
"synonyms": "ACADESINE; 2627-69-2; AICAR; AICA-riboside; Arasine; AICA riboside; AIC-Riboside; Acadesina; Acadesinum; AICAR (Acadesine); Protara; GP-1-110; 5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide; UNII-53IEF47846; C9H14N4O5; 5-Amino-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide; 5-Aminoimidazole-4-carboxamide-1-beta-riboside; GP 1-110; 5-Amino-1-beta-D-ribofuranosyl-4-imidazolecarboxamide; 5-Amino-4-imidazolecarboxamide ribofuranoside; 5-Aminoimidazole-4-carboxamide ribonucleoside; CHEBI:28498; 5-Amino-1-beta-ribofuranosyl-imidazole-4-carboxamide; 5-Amino-1beta-D-ribofuranosylimidazole-4-carboxyamide; 53IEF47846; SCH-900395; 5-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxamide; 5-amino-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide; AK-28518; Z-Riboside; 5-Aminoimidazole-4-carboxamide riboside; DSSTox_CID_26015; DSSTox_RID_81290; DSSTox_GSID_46015; 5-aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside; Acadra; NSC105823; NSC 105823; 5-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carboxamide; SMR003435998; CAS-2627-69-2; Acadesinum [INN-Latin]; Acadesina [INN-Spanish]; 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside, 98%; Acadesine [USAN:INN:BAN]; MFCD00869751; NSC-105823; ATH-001; NCGC00096051-02; EINECS 220-097-5; Acadesine (AIACR); ath001; Acadesine (USAN/INN); AMTNS043; 5-Amino-1-.beta.-D-ribofuranosyl-1H-imidazole-4-carboxamide; MLS004774120; MLS006010069; SCHEMBL219336; GTPL5133; CHEMBL1551724; DTXSID5046015; EC Number 220-097-5; AOB3884; Imidazole-4-carboxamide, 5-amino-1-beta-D-ribofuranosyl-; OR1170T; 1H-Imidazole-4-carboxamide, 5-amino-1-beta-D-ribofuranosyl-; ZINC3798074; ZX-AT019278; Tox21_111551; HSCI1_000213; s1802; AICAR, >=98% (HPLC), powder; AKOS016004462; Tox21_111551_1; API0015387; CCG-267038; CS-1951; DB04944; LS00141; SB16556; 5-Amino-4-imidazolecarboxamide Riboside; SRI-4077-02; SRI-4077_04; NCGC00165736-01; NCGC00165736-03; NCGC00165736-04; 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide; AC-26840; AS-13787; HY-13417; SC-19362; AX8007017; GP-1-110-0; 5-amino-1-ribofuranosylimidazole-4-carboxamide; C04663; D02742; J10316; 627A692; 5-Amino-1-beta-ribofuranosylimidazole-4-carboxamide; J-700140; Q4671562; 5-Amino-1-.beta.-D-ribofuranosylimidazole-4-carboxamide; 5-amino-1-ss-D-ribofuranosyl-1H-imidazole-4-carboxamide; N1-(?-D-Ribofuranosyl)-5-aminoimidazole-4-carboxamide; N(1)-(beta-D-ribofuranosyl)-5-aminoimidazole-4-carboxamide; N1-(beta-D-Ribofuranosyl)-5-aminoimidazole-4-carboxamide; AICAR;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside; 5-amino-1-ss-D-ribofuranosyl-1H-imidazole-4-carboxamide;5-amino-1-?-D-ribofuranosyl-1H-imidazole-4-carboxamide",
"trade_name": "",
"abbrev_name": "",
"description": "AMP-activated protein kinase activator; cell-permeable AMP analog ;",
"molecular_formula": "C9H14N4O5",
"molecular_weight": "258.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Negligible (approximately 1%)",
"half_life": "1 week",
"absorption": "",
"cid": "17513",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01EB13",
"group": "Drug",
"drug_type": "",
"target": [
"T047",
"T417"
],
"function": [
"F02060101",
"F08"
],
"references": [
"RC03690",
"RC03781",
"RC03782"
]
},
{
"compound_ID": "D1355",
"name": "Pfz3",
"synonyms": "",
"trade_name": "Pfz3 (Pfizer)",
"abbrev_name": "",
"description": "CoA-SH analogue",
"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": [
"T080002"
],
"function": [],
"references": [
"RC03745"
]
},
{
"compound_ID": "D1356",
"name": "Dichloroacetate",
"synonyms": "Dichloroacetate; 2,2-dichloroacetate; Dichloracetate; Dichloroacetate ion; Dichloroacetic acid ion(1-); 13425-80-4; BRN 3903873; ACETIC ACID, DICHLORO-, ION(1-); DCA; 2q8h; 2,2-bis(chloranyl)ethanoate; GTPL4518; CHEBI:28240; CTK4B9070; DTXSID40158610; STL483470; Acetic acid,2,2-dichloro-, ion(1-); NCGC00241105-01; LS-11597; 68626-EP2292227A2; 68626-EP2292628A2; 68626-EP2298776A1; 68626-EP2308861A1; 68626-EP2374454A1; A839686; Q27077050",
"trade_name": "",
"abbrev_name": "DCA; bichloroacetic acid, BCA",
"description": "an analogue of acetic acid; xenobiotic pyruvate analog",
"molecular_formula": "C2HCl2O2-",
"molecular_weight": "127.93",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "25975",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T072",
"T080002"
],
"function": [
"F020401"
],
"references": [
"RC03742",
"RC03810"
]
},
{
"compound_ID": "D1357",
"name": "Butein",
"synonyms": "butein; 487-52-5; 2',3,4,4'-Tetrahydroxychalcone; 2',4',3,4-Tetrahydroxychalcone; 3,4,2',4'-Tetrahydroxychalcone; UNII-4WVS5M0LGF; EINECS 207-659-5; 4WVS5M0LGF; (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; CHEBI:3237; CHEMBL128000; (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; Chalcone, 2',3,4,4'-tetrahydroxy- (7CI,8CI); Acrylophenone, 2',4'-dihydroxy-3-(3,4-dihydroxyphenyl)-; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-; 21849-70-7; 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one; Butein, solid; 2′,4′,3,4-Tetrahydroxychalcone; Butein, analytical standard; SCHEMBL139243; CHEBI:92312; 3,4,2',4'-Tetrahydroxychalone; 3,4,2'',4''-tetrahydroxychalone; BDBM50042949; HSCI1_000162; LMPK12120111; NSC652892; s8036; ZINC12428433; AKOS032948361; (E)-2',3,4,4'-terahydroxychalcone; CCG-208298; CS-5675; NSC-652892; 2 inverted exclamation mark ,3,4,4 inverted exclamation mark -tetrahydroxy Chalcone; ACM21849707; NCGC00163519-01; AS-35311; HY-16558; 2',3,4,4'-Tetrahydroxychalcone; Butein; LS-123867; LS-175098; B3803; NS00018353; ST50331397; SW219249-1; W1236; C08578; SR-05000002316; Q5002498; SR-05000002316-2; BRD-K17497770-001-01-0; 3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone; (E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone; 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-; (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-",
"trade_name": "",
"abbrev_name": "",
"description": "a chalcone of the chalconoids; antioxidative; aldose reductase and advanced glycation endproducts inhibitor",
"molecular_formula": "C15H12O5",
"molecular_weight": "272.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5281222",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04036",
"RC04160",
"RC04284",
"RC04408",
"RC04532"
]
},
{
"compound_ID": "D1358",
"name": "Urolithin A",
"synonyms": "urolithin A; 1143-70-0; 3,8-dihydroxy-6H-benzo[c]chromen-6-one; 3,8-Dihydroxy-6H-dibenzo(b,d)pyran-6-one; 3,8-Dihydroxyurolithin; 6H-Dibenzo[b,d]pyran-6-one, 3,8-dihydroxy-; 3,8-Hydroxydibenzo-alpha-pyrone; 3,8-dihydroxy-6h-dibenzo[b,d]pyran-6-one; 6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-; 3,8-dihydroxybenzo[c]chromen-6-one; 3,8-dihydroxy-urolithin; SCHEMBL803408; CHEMBL1836264; CTK4A8707; KS-00000TQI; DTXSID40150694; Urolithin A, >=97% (HPLC); s5312; ZINC13484727; AKOS028108778; CCG-266776; CS-6305; DB15464; AK544544; DS-19328; DB-122496; HY-100599; FT-0778244; 6H-Dibenzo[b,d]pyran-6-one,3,8-dihydroxy-; J-003086; Q15634120; 2-Biphenylcarboxylic acid, 2',4,4'-trihydroxy-, delta-lactone",
"trade_name": "",
"abbrev_name": "",
"description": "metabolite compound resulting from the transformation of ellagitannins by the gut bacteria; benzo-coumarins or dibenzo-alpha-pyrones",
"molecular_formula": "C13H8O4",
"molecular_weight": "228.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5488186",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030801"
],
"references": [
"RC03692"
]
},
{
"compound_ID": "D1359",
"name": "nicotinamide mononucleotide",
"synonyms": "beta-Nicotinamide mononucleotide; 1094-61-7; Nicotinamide ribotide; beta-NMN; nicotinamide mononucleotide; nicotinamide ribonucleotide; nicotinamide D-ribonucleotide; nicotinamide nucleotide; NMN; NMN zwitterion; beta-nicotinamide D-ribonucleotide; UNII-2KG6QX4W0V; beta-Nicotinamide ribonucleotide; 3-(Aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium; 2KG6QX4W0V; CHEBI:16171; Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner salt; beta-delta-NMN; AK152018; EINECS 214-136-5; BETANMN; 3-(aminocarbonyl)-1-(5-O-phosphonato-ss-D-ribofuranosyl)pyridinium; b-NMN; Nicotinamidmononucleotid; b-D-NMN; bmse000260; SCHEMBL105618; CHEMBL610238; EX-A3534; HY-F0004; BDBM50366763; AKOS015896881; CCG-267847; CS-4996; 3-carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-(dihydrogen phosphate) inner salt; Nicotinamide ribonucleoside 5'-phosphate; AS-59655; C00455; J-002287; Q21547155; 3-carbamoyl-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium; 3-Carbamoyl-1-b-D-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt; 3-(aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-Pyridinium hydroxide inner salt; 3-(aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-Pyridinium inner salt; 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium, inner salt; 3-(aminocarbonyl)-1-(5-O-phosphono-beta-delta-ribofuranosyl)-Pyridinium inner salt; 3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt; ((2R,3S,4R,5R)-5-(3-carbamoylpyridinium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen phosphate; 3-(aminocarbonyl)-1-(5-O-phosphono-beta-delta-ribofuranosyl)-Pyridinium hydroxide inner salt; 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1$l^{5}-pyridin-1-ylium; 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1??-pyridin-1-ylium; AfAE'A centa' notA inverted exclamation markAfasA'A|AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark-Nicotinamide mononucleotide; NICOTINAMIDE MONONUCLEOTIDE;3-(aminocarbonyl)-1-(5-O-phosphonato-?-D-ribofuranosyl)pyridinium",
"trade_name": "",
"abbrev_name": "NMN; NAMN, beta-NMN",
"description": "nucleotide derived from ribose and nicotinamide; made from B vitamins in the body; derivative of niacin",
"molecular_formula": "C11H15N2O8P",
"molecular_weight": "334.22",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14180",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F08"
],
"references": [
"RC03693"
]
},
{
"compound_ID": "D1360",
"name": "Elamipretide",
"synonyms": "Elamipretide; bendavia; 736992-21-5; UNII-87GWG91S09; MTP-131; L-Phenylalaninamide, D-arginyl-2,6-dimethyl-L-tyrosyl-L-lysyl-; MTP 131; RX 31; SS 31; 87GWG91S09; SS-31 peptide; Arg-Dmt-Lys-Phe-NH2; D-Arg-Dmt-Lys-Phe-NH2; SS31 peptide; Elamipretide [USAN:INN]; Elamipretide (USAN/INN); arginyl-2,'6'-dimethyltyrosyl-lysyl-phenylalaninamide; CHEMBL3833370; SCHEMBL15028020; CTK2H1007; DTXSID50471988; RX-31; SS-31; (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide; HY-P0125; ZINC43130902; CS-5846; DB11981; AS-71321; D10925; Q27269822; (2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxy-2,6-dimethylphenyl)propanamido]-N-[(1S)-1-carbamoyl-2-phenylethyl]hexanamide",
"trade_name": "Bendavia",
"abbrev_name": "MTP-131, SS31",
"description": "small mitochondrially-targeted tetrapeptide (D-Arg-dimethylTyr-Lys-Phe-NH2) that appears to reduce the production of toxic reactive oxygen species and stabilize cardiolipin",
"molecular_formula": "C32H49N9O5",
"molecular_weight": "639.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11764719",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1361",
"name": "Ultraviolet B",
"synonyms": "",
"trade_name": "",
"abbrev_name": "UVB",
"description": "ultraviolet light",
"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": [],
"function": [
"F0308"
],
"references": [
"RC03713"
]
},
{
"compound_ID": "D1362",
"name": "Ultraviolet C",
"synonyms": "",
"trade_name": "",
"abbrev_name": "UVC",
"description": "ultraviolet light",
"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": [],
"function": [
"F0308"
],
"references": [
"RC03714"
]
},
{
"compound_ID": "D1363",
"name": "fisetin",
"synonyms": "Fisetin; 528-48-3; 3,3',4',7-Tetrahydroxyflavone; 5-Desoxyquercetin; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one; Cotinin; Fustel; Viset; Fisetholz; Superfustel; Fietin; Fustet; Junger fustik; 3,7,3',4'-Tetrahydroxyflavone; Ventin sumach; Young fustic; Zante fustic; Superfustel K; Ungarisches gelbholz; C.I. Natural Brown 1; Young fustic crystals; Bois bleu de Honqrie; BOIS bleude honqrie; C.I. 75620; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-; NSC 407010; NSC 656275; 5-Deoxyquercetin; Natural Brown 1; UNII-OO2ABO9578; 7,3',4'-Trihydroxyflavonol; Fisetin hydrate; BRN 0292829; CCRIS 9034; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one; EINECS 208-434-4; NSC407010; CHEMBL31574; OO2ABO9578; FLAVONE, 3,3',4',7-TETRAHYDROXY-; CHEBI:42567; TNP00284; MFCD00006829; NSC656275; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one; NSC-407010; AK-88492; Q-100599; FSE; SR-05000002249; Fisetine; Fisetin (Fustel); Fisetin, 15; Spectrum_001196; 1xo2; SpecPlus_000460; Spectrum2_001160; Spectrum3_001536; Spectrum4_001070; Spectrum5_001797; NCIMech_000006; SCHEMBL39454; 3,3'4'7-tetOH-Flavone; 3,4',7-Tetrahydroxyflavone; BSPBio_002952; KBioGR_001400; KBioSS_001676; 5-18-05-00291 (Beilstein Handbook Reference); MLS006011782; 528-48-3 (anhydrous); BIDD:ER0141; DivK1c_006556; SPECTRUM1502247; SPBio_001119; BDBM7457; GTPL5182; DTXSID4022317; CTK8B4476; KBio1_001500; KBio2_001676; KBio2_004244; KBio2_006812; KBio3_002452; KS-00000YFR; ZINC39111; BIF1001; Flavone,3',4',7-tetrahydroxy-; ZX-AFC002753; HMS3604H03; HMS3655L22; ACT02610; HY-N0182; TNP00004; 3,3',4',7-Tetra-hydroxy-flavone; ANW-45197; BBL027612; CCG-35267; CF0050; LMPK12111566; MFCD04220857; s2298; SBB066118; STL146392; AKOS000277885; CS-7840; DB07795; MCULE-8216354240; NSC-656275; SDCCGMLS-0066657.P001; 3,2',4',7-TETRAHYDROXYFLAVONE; NCGC00017344-01; NCGC00017344-02; NCGC00017344-03; NCGC00017344-04; NCGC00017344-05; NCGC00017344-06; NCGC00095663-01; NCGC00095663-02; NCGC00178374-01; ACM345909344; AS-15520; CC-28430; CI-75620; LS-69038; NCI60_003865; P707; SC-16989; SMR001835029; ST057233; AX8006342; FT-0613996; N2487; NS00018308; SW219914-1; 28F483; C10041; S00056; C-34894; Q418384; J-019667; SR-05000002249-2; SR-05000002249-3; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate; 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-3,7-dihydroxy-; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one #; 3,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one; Fisetin; 2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE; Fisetin; 5-Deoxyquercetin; 3,3?,4?,7-Tetra??hydroxy??flavone; Natural Brown 1",
"trade_name": "",
"abbrev_name": "FIS",
"description": "a plant flavonol from the flavonoid group of polyphenols; colouring agent.",
"molecular_formula": "C15H10O6",
"molecular_weight": "286.24",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5281614",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030801"
],
"references": [
"RC03728"
]
},
{
"compound_ID": "D1364",
"name": "Nicotinamide",
"synonyms": "nicotinamide; niacinamide; 98-92-0; 3-Pyridinecarboxamide; Nicotinic acid amide; pyridine-3-carboxamide; vitamin PP; Papulex; Aminicotin; Amixicotyn; Nicobion; Nicotylamide; Nikotinamid; Savacotyl; Benicot; Dipegyl; Endobion; Hansamid; Pelmine; Nicotinic amide; Delonin amide; Pelonin amide; Vi-Nicotyl; Austrovit PP; Inovitan PP; Vitamin B; Nicosylamide; Nicotilamide; Nicotililamido; Amnicotin; Niacevit; Nicamina; Nicamindon; Nicofort; Nicomidol; Nicotamide; Nicovitina; Nicovitol; Nicozymin; Niocinamide; Niozymin; Niamide; Nicasir; Nicogen; Nicota; Nicotol; Nicovit; Niko-tamin; 3-Carbamoylpyridine; Nicotine acid amide; Nandervit-N; Pyridine-3-carboxylic acid amide; Niavit PP; Nicosan 2; Nicotine amide; beta-Pyridinecarboxamide; Nikotinsaeureamid; Nicotylamidum; Mediatric; Nicotinsaureamid; Pyridine, 3-carbamoyl-; Nicotinamidum; m-(Aminocarbonyl)pyridine; Acid amide; Factor pp; 3-Pyridinecarboxylic acid amide; Nicotinamida; Nicovel; Vitamin B (VAN); Pelmin; Amid kyseliny nikotinove; Witamina PP; PP-Faktor; Amide PP; Nicotinsaureamid [German]; Nikotinsaeureamid [German]; Amid kyseliny nikotinove [Czech]; Nicotinamidum [INN-Latin]; Nicotinamida [INN-Spanish]; NAM; Niacinamide [USAN]; C6H6N2O; Nictoamide; CCRIS 1901; Dipigyl; HSDB 1237; Vi-noctyl; AI3-02906; Nicotinamide (Vitamin B3); NSC 13128; b-Pyridinecarboxamide; Niacinamide [USP]; UNII-25X51I8RD4; EINECS 202-713-4; 3-(aminocarbonyl)pyridine; .beta.-Pyridinecarboxamide; CHEMBL1140; MLS000069714; DEA No. 1405; CHEBI:17154; 25X51I8RD4; NSC13128; Niacinamide (USP); MFCD00006395; NSC-13128; NSC-27452; Nicotinamide, 99%; NCGC00093354-03; NCGC00093354-05; SMR000058212; DSSTox_CID_929; WLN: T6NJ CVZ; DSSTox_RID_75873; DSSTox_GSID_20929; Enduramide; CAS-98-92-0; B3, Vitamin; Vitamin B 3; B 3, Vitamin; 3 Pyridinecarboxamide; SR-01000721872; Nicotinsaureamid Jenapharm; Jenapharm, Nicotinsaureamid; Niacotinamide; Nicotinamid; nicotin-amide; Nicotinsaeureamid; 3-Amidopyridine; Nicotinamide,(S); Vitamin B3 amide; 3-yridinecarboxamide; Nicotinamide [INN]; ACMC-20aizz; Mediatric (Salt/Mix); niacin - Vitamin B3; 1yc5; Opera_ID_775; Niacinamide(Vitamin B3); bmse000281; MolMap_000061; EC 202-713-4; SCHEMBL2926; Nicotinamide (JP17/INN); KSC237G2T; MLS001424246; SCHEMBL6278767; SGCUT00176; ZINC5878; DTXSID2020929; SCHEMBL19978192; BDBM27507; Nicotinamide, niacin, vitamin B3; HMS2052M21; HMS2090B05; HMS2093H03; HMS2236J03; HMS3370F21; HMS3394M21; HMS3655M20; HMS3713B22; Pharmakon1600-01505397; [N]C(=O)C1=CC=CN=C1; BCP07322; HY-B0150; NSC27452; to_000073; Nicotinamide 1.0 mg/ml in Methanol; Nicotinamide, >=98.5% (HPLC); Nicotinamide, >=99.5% (HPLC); Tox21_111202; Tox21_201716; Tox21_302776; ANW-75549; BBL013003; NSC759115; s1899; SBB004283; STL163867; AKOS005715850; Tox21_111202_1; CCG-101149; CS-1968; DB02701; LS-2051; MCULE-3532732201; NC00399; NSC-759115; Nicotinamide, >=98% (HPLC), powder; NCGC00093354-04; NCGC00093354-06; NCGC00093354-09; NCGC00256432-01; NCGC00259265-01; 11032-50-1; AS-13845; K774; Nicotinamide, puriss., 99.0-101.0%; SC-18039; Nicotinamide, tested according to Ph.Eur.; SBI-0206826.P001; DB-057754; Niacinamide;Nicotinic acid amide;Vitamin B3; FT-0631517; FT-0672696; FT-0773644; N0078; N1651; NS00005364; ST51037366; SW197779-3; EN300-15612; Niacinamide, meets USP testing specifications; 3418-EP2281816A1; 3418-EP2281818A1; 3418-EP2285778A1; 3418-EP2287165A2; 3418-EP2295424A1; 3418-EP2307377A1; 3418-EP2307378A1; 3418-EP2308858A1; 3418-EP2308874A1; 3418-EP2311808A1; 3418-EP2311829A1; C00153; D00036; J10422; Nicotinamide (Niacinamide), analytical standard; W-3583; 11783-EP2269610A2; 11783-EP2289510A1; 11783-EP2316457A1; 11783-EP2316458A1; 11783-EP2316825A1; 11783-EP2316826A1; 11783-EP2316827A1; 11783-EP2316828A1; AB00373895-13; AB00373895_15; AB00373895_16; Nicotinamide, Vetec(TM) reagent grade, >=98%; A845925; AC-907/25014114; Q192423; Q-201470; SR-01000721872-3; SR-01000721872-4; SR-01000721872-5; Z33546463; F2173-0513; Niacinamide;Nicotinic acid amide;Vitamin B3; Vitamin PP; Nicotinamide, British Pharmacopoeia (BP) Reference Standard; A186B02E-6C70-4E54-9739-79398D439AAA; Nicotinamide, European Pharmacopoeia (EP) Reference Standard; Niacinamide, United States Pharmacopeia (USP) Reference Standard; Niacinamide, Pharmaceutical Secondary Standard; Certified Reference Material; Nicotinamide, BioReagent, suitable for cell culture, suitable for insect cell culture; Nicotinamide (Vitamin B3) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material",
"trade_name": "",
"abbrev_name": "NAM",
"description": "a form of vitamin B3",
"molecular_formula": "C6H6N2O",
"molecular_weight": "122.12",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "936",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A11HA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030801"
],
"references": [
"RC03727"
]
},
{
"compound_ID": "D1365",
"name": "earle’s balanced salt solution",
"synonyms": "",
"trade_name": "",
"abbrev_name": "EBSS",
"description": "cell culture reagent; isotonic buffer solution containing inorganic salts and a carbohydrate as an energy source ; a classical autophagy-inducing stimulus that is absence of amino acids",
"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": [],
"function": [
"F030801"
],
"references": [
"RC03723"
]
},
{
"compound_ID": "D1366",
"name": "hydroxychloroquine",
"synonyms": "hydroxychloroquine; Plaquenil; 118-42-3; Oxichloroquine; Oxychlorochin; Oxychloroquine; Oxichlorochinum; Hidroxicloroquina; Hydroxychloroquinum; Idrossiclorochina [DCIT]; oxichlorochine; WIN 1258; Hidroxicloroquina [INN-Spanish]; Hydroxychloroquinum [INN-Latin]; Quensyl; 2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanol; Hydroxychloroquine [INN:BAN]; C18H26ClN3O; 7-Chloro-4-(4-(ethyl(2-hydroxyethyl)amino)-1-methylbutylamino)quinoline; Polirreumin; CHEBI:5801; 2-(N-(4-(7-Chlor-4-chinolylamino)-4-methylbutyl)ethylamino)ethanol; 7-Chloro-4-(4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino)quinoline; EINECS 204-249-8; HYDROXY CHLOROQUINE; HCQ; 2-[{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol; BRN 0253894; 7-Chloro-4-(5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl)aminoquinoline; NSC4375; 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol; Ethanol, 2-((4-((7-chloro-4-quinolinyl)amino)pentyl)ethylamino)-; Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-; Hydroxychlorochin; Idrossiclorochina; 2-((4-((7-Chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethanol; 2-{N-[4-(7-Chloro-4-quinolylamino)pentyl]-N-ethylamino}ethanol; Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-; 2-({4-[(7-chloro(4-quinolyl))amino]pentyl}ethylamino)ethan-1-ol; 7-chloro-4-[4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino]quinoline; 7-chloro-4-[5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl]aminoquinoline; Polirreumin (TN); NCGC00159483-02; Hydroxychloroquine (INN); Hydroxychloroquine Sulfate (1:1) Salt; Hydroxiklorokin; Dolquine; 2-[[4-[(7-chloroquinolin-4-yl)amino]pentyl](ethyl)amino]ethanol; Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-; 2-[{4-[(7-Chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethan-1-ol; Chloroquine-Hydroxy; Ercoquin (Salt/Mix); Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1); 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol; (+-)-hydroxychloroquine; Spectrum2_001238; Spectrum5_001697; (+/-)-hydroxychloroquine; SCHEMBL8170; CHEMBL1535; 5-22-10-00280 (Beilstein Handbook Reference); (.+/-.)-Hydroxychloroquine; DivK1c_000942; SPBio_001116; GTPL7198; DTXSID8023135; HMS502P04; KBio1_000942; Win 1258-2; NINDS_000942; 2-[4-[(7-chloro-4-quinolyl)amino]pentyl-ethyl-amino]ethanol; ALBB-022466; BCP30197; ZX-AN038051; BDBM50467780; SBB012559; STL429829; AKOS015997886; CCG-208059; DB01611; DT-0016; HY-W031727; MCULE-6282304706; VZ36170; IDI1_000942; NCGC00159483-03; NCGC00159483-06; CC-29437; LS-66614; M566; ST072188; SBI-0052759.P002; CS-0075751; FT-0627143; FT-0669455; FT-0669456; NS00001228; NS00098843; C07043; D08050; AB00053257_02; 118H423; Q421094; BRD-A99117172-065-01-6; BRD-A99117172-065-02-4; F2173-0553; 2-((4-(7-chloroquinolin-4-ylamino)pentyl)(ethyl)amino)ethanol; 2-[(4-[(7-Chloro-4-quinolinyl)amino]pentyl)(ethyl)amino]ethanol #; 7-chloro-4-[4-[ethyl(2-hydroxyethyl)amino]1-methylbutylamino]-quinoline; 7-chloro-4-[4-[ethyl(2-hydroxyethyl)amino]1-methylbutylamino]quinoline; 7-Chloro-4-(4-(N-ethyl-N-.beta.-hydroxyethylamino)-1-methylbutylamino)quinoline; Hydroxychloroquine sulphate;hydroxychloroquine sulphate;Hydroxychloroquine sulfate; Oxichloroquine;Oxychlorochin;2-[[4-[(7-Chloroquinolin-4-yl)amino]pentyl](ethyl)amino]ethanol",
"trade_name": "Plaquenil",
"abbrev_name": "HCQ",
"description": "antimalarial; 4-aminoquinoline families ; lysosomal inhibitor; medication used to prevent and treat malaria",
"molecular_formula": "C18H26ClN3O",
"molecular_weight": "335.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Approximately 45%.",
"half_life": "Terminal elimination half-life In blood is approximately 50 days. In plasma it is approximately 32 days.",
"absorption": "Very rapidly and completely absorbed following oral administration.",
"cid": "3652",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P01BA02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030801"
],
"references": [
"RC03719"
]
},
{
"compound_ID": "D1367",
"name": "3-methyladenine",
"synonyms": "3-methyladenine; 5142-23-4; 3-Methyl-3H-purin-6-amine; 6-Amino-3-methylpurine; 3-MA; 3-Methyl-3H-adenine; 3H-Purin-6-amine, 3-methyl-; NSC 66389; n3-methyladenine; ADENINE, 3-METHYL-; CHEBI:38635; EINECS 225-908-6; MFCD00010531; 3-METHYL-3H-PURIN-6-YLAMINE; BRN 0146087; 3-Methyladenine autophagy inhibitor; AK-94088; 3-Methyladenine, 90+%; J-640198; W-202935; 3-Methyladenine (3-MA); 3MA; 60192-57-6; 3-methylpurin-6-amine; 3-methyl-7H-purin-6-imine; 3-methyladenin; 3mea; 3-methyl-Adenine; 3-Methyladenine?; NSC66389; 1p7m; 4ai5; NCIOpen2_000270; SCHEMBL48369; 5-26-17-00151 (Beilstein Handbook Reference); MLS006010995; SCHEMBL254058; 3H-Purin-6-amine,3-methyl-; CHEMBL292268; 3-methyl-3-hydropurin-6-imine; CHEMBL4303725; SCHEMBL15764619; 3-Methyl-3H-purin-6-amine #; CTK4J4217; CTK6I3368; KS-00000NOD; AOB2548; DTXSID80199406; EX-A130; 3-methyl-3-hydropurine-6-ylamine; Bio1_000422; Bio1_000911; Bio1_001400; HMS3656P04; ZINC403086; 3-Methyl-7H-purine-6(3H)-imine; ACN-C001131; BCP02452; 3-methyl-3H-adenine;3-Methyladenin; 3-Methyladenine, autophagy inhibitor; ABP000334; ANW-54285; BDBM50488841; GL3599; NSC-66389; QC-518; s2767; SBB086626; AKOS003382321; AKOS006228458; ZINC100003619; ACN-001131; CCG-206388; CS-5207; DB04104; FCH1110982; MCULE-5086156902; NSC 66389 (3-MA); VZ27096; NCGC00345447-02; 3-methyl-3,9-dihydro-6H-purin-6-imine; AC-28818; AS-19224; CC-15589; HY-19312; LS-15078; SMR002530641; SY026559; AB0007938; AX8088144; DB-051961; A7582; FT-0635560; FT-0671432; M2518; NS00005696; ST50298916; SW220216-1; X5709; 3-methyl-3H-purin-6-amine (ACD/Name 4.0); C00913; Q-9331; 3-methyl-3H-purin-6-ylamine (ACD/Name 4.0); C-02699; J-800199; BRD-K81647657-001-01-9; Q27094948",
"trade_name": "",
"abbrev_name": "3MA",
"description": "PI3K inhibitor; autophagy inhibitor",
"molecular_formula": "C6H7N5",
"molecular_weight": "149.15",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "135398661",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030801"
],
"references": [
"RC03720"
]
},
{
"compound_ID": "D1368",
"name": "oxaliplatin",
"synonyms": "ACT 078; Oxaloplatine; Oxaloplatino; Lipoxal; Oxalitin; NSC 271670; Oxalato(1,2-diaminocyclohexane)platinum(II); Platinum (II), (cyclohexane-1,2-diammine)oxalato-; CCRIS 9143; Platinum, (1,2-cyclohexanediamine-N,N')(ethanedioato(2-)-O,O')-, (SP-4-2-(trans))-; Oxaliplatin [USAN:USP:INN:BAN]; Platinum, (1,2-cyclohexanediamine-kappaN,kappaN')(ethanedioato(2-)-kappaO1,kappaO2)-, (SP-4-2-(trans))-; NCI60_002138; (SP-4-2)-[(1R,2R)-Cyclohexane-1,2-diamine-?N,?N?][ethanedioato(2-)-?O1,?O2]platinum; [(1R,2R)-Cyclohexane-1,2-diaminato(2-)-kappa~2~N,N'][ethanedioato(2-)-kappa~2~O~1~,O~2~]platinum",
"trade_name": "Eloxatin",
"abbrev_name": "",
"description": "blocking the duplication of DNA; Anti-cancer",
"molecular_formula": "C8H12N2O4Pt",
"molecular_weight": "395.3",
"state": "solid",
"clearance": "* 10 - 17 L/h [renal clearance]",
"volume_of_distribution": "* 440 L [single 2-hour IV infusion at dose of 85 mg/m^2]\nAt the end of a 2-hour infusion of oxaliplatin, approximately 15% of the administered platinum is present in the systemic circulation. The remaining 85% is rapidly distributed into tissues or eliminated in the urine.",
"route_of_elimination": "The major route of platinum elimination is renal excretion. At five days after a single 2-hour infusion of oxaliplatin, urinary elimination accounted for about 54% of the platinum eliminated, with fecal excretion accounting for only about 2%.",
"protein_binding": "Plasma protein binding of platinum (active metabolite) is irreversible and is greater than 90%, primarily to albumin and gamma-globulins. It is also irreversibly binds to erythrocytes.",
"half_life": "The decline of ultrafilterable platinum levels following oxaliplatin administartion is triphasic, with two distribution phases: t1/2alpha; 0.43 hours and t1/2beta; 16.8 hours. This is followed by a long terminal elimination phase that lasts 391 hours (t1/2gamma).",
"absorption": "Bioavailability is complete following intravenous administration. When a single 2-hour intravenous infusion of oxaliplatin at a dose of 85 mg/m^2 is given, the peak serum concentration was 0.814 mcg/mL.",
"cid": "43805",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0701"
],
"references": [
"RC03729"
]
},
{
"compound_ID": "D1369",
"name": "2-chloroproprionate",
"synonyms": "2-chloropropanoic acid",
"trade_name": "",
"abbrev_name": "",
"description": "colorless liquid; simplest chiral chlorocarboxylic acid",
"molecular_formula": "C3H5ClO2",
"molecular_weight": "108.52",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11734",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T080002"
],
"function": [],
"references": [
"RC03743"
]
},
{
"compound_ID": "D1370",
"name": "Nov3r",
"synonyms": "(R)-3.3.3-trifluoro-2-hydroxy-2-methyl propionamides",
"trade_name": "Nov3r (Novartis)",
"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": [
"T080"
],
"function": [],
"references": [
"RC03744"
]
},
{
"compound_ID": "D1372",
"name": "colchicine",
"synonyms": "colchicine; 64-86-8; Colchicin; Colchicina; Colchisol; Condylon; Colcin; Colchicinum; Colchineos; Colsaloid; 7alphaH-Colchicine; Colcrys; (S)-colchicine; Colchicin [German]; spindle poison; Colchicina [Italian]; 7-alpha-H-Colchicine; NSC 757; UNII-SML2Y3J35T; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; N-Acetyl trimethylcolchicinic acid methylether; CCRIS 691; NSC757; (S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide; HSDB 3044; EINECS 200-598-5; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; CHEMBL107; SML2Y3J35T; AI3-31149; CHEBI:27882; NSC-757; N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; NCGC00025125-07; Colchysat; Goutnil; Kolkicin; DSSTox_CID_4845; Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-; C-7100; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; DSSTox_RID_77551; DSSTox_GSID_24845; 30512-31-3; Colchicine [JAN]; Colstat; Mitigare; Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-; Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-; Colchicine (TN); N-[(7s)-1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5h-Benzo[d]heptalen-7-Yl]ethanamide; LOC; SMR000058323; Benzo(a)heptalen-9(5H)-one; Colchicine, Colchicum autumnale; 7.alpha.H-Colchicine; Colchicine [USP:JAN]; SR-01000075794; SR-01000597576; (S)-colchicina; 4lzr; (S)-colchicin; Acetamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(.alpha.)heptalen-7-yl)-; Acetamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-; MPC-004; N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)- acetamide; CAS-64-86-8; Prestwick_695; Spectrum_000842; Tocris-1364; 4o2b; Prestwick0_000363; Prestwick1_000363; Prestwick2_000363; Prestwick3_000363; Spectrum2_000075; Spectrum3_000362; Spectrum4_000298; Spectrum5_000787; Colchicine (JP17/USP); UPCMLD-DP065; C 9754; EC 200-598-5; SCHEMBL8469; N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide; Lopac0_000310; methoxylated analogue of XD1; BSPBio_000485; BSPBio_002083; KBioGR_000856; KBioSS_001322; MLS001055448; MLS001304089; MLS002153786; DivK1c_000753; SPECTRUM1500205; SPBio_000289; SPBio_002406; BPBio1_000535; GTPL2367; MEGxp0_001879; DTXSID5024845; UPCMLD-DP065:001; ACon1_000353; HMS502F15; KBio1_000753; KBio2_001322; KBio2_003890; KBio2_006458; KBio3_001303; NINDS_000753; ZX-AFC000369; HMS1569I07; HMS1920A08; HMS2091G16; HMS2096I07; HMS2231C05; HMS3260N22; HMS3713I07; Pharmakon1600-01500205; ZINC621853; Colchicine, >=96.0% (HPLC); Tox21_110947; Tox21_201547; Tox21_300582; Tox21_500310; BDBM50014846; BG0155; CCG-39910; KM0881; LS-279; NSC756702; s2284; AKOS001582887; Colchicine, >=95% (HPLC), powder; Tox21_110947_1; API0002098; CS-1141; DB08117; EBD2156734; LP00310; MCULE-1568647156; MCULE-7858118731; NSC-756702; SDCCGMLS-0066633.P001; SDCCGSBI-0050298.P006; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(alpha)heptalen-7-yl)-; IDI1_000753; N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide; NCGC00025125-01; NCGC00025125-02; NCGC00025125-03; NCGC00025125-04; NCGC00025125-05; NCGC00025125-06; NCGC00025125-08; NCGC00025125-09; NCGC00025125-10; NCGC00025125-11; NCGC00025125-12; NCGC00025125-13; NCGC00025125-14; NCGC00025125-15; NCGC00025125-18; NCGC00025125-20; NCGC00169157-01; NCGC00169157-02; NCGC00169157-03; NCGC00254359-01; NCGC00259096-01; NCGC00260995-01; AK167930; AS-13686; CC-25958; HY-16569; NCI60_041659; SC-11404; SBI-0050298.P004; A3324; EU-0100310; FT-0603187; MLS001055448-02; N1721; C07592; D00570; J10109; M01514; 24218-EP2275412A1; 24218-EP2277865A1; 24218-EP2281815A1; 24218-EP2301933A1; 24218-EP2301940A1; 24218-EP2305219A1; 24218-EP2305640A2; 24218-EP2311827A1; 24218-EP2314590A1; binds to tubulin; inhibits microtubular assembly; 078C484; C-21700; SR-01000075794-1; SR-01000075794-3; SR-01000075794-6; SR-01000075794-7; SR-01000597576-1; SR-01000597576-3; BRD-K00259736-001-06-5; BRD-K00259736-001-10-7; WLN: L B677 MV&T&J CO1 DO1 EO1 JMV1 NO1; Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-; Colchicine, (European Pharmacopoeia (EP) Reference Standard); Colchicine, United States Pharmacopeia (USP) Reference Standard; Colchicine, BioReagent, plant cell culture tested, >=95% (HPLC); Colchicine, Pharmaceutical Secondary Standard; Certified Reference Material; (S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl) acetamide; Colchicine for system suitability, European Pharmacopoeia (EP) Reference Standard; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide;; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide",
"trade_name": "Colcrys, Mitigare",
"abbrev_name": "",
"description": "a medication used to treat gout and Behçet's disease",
"molecular_formula": "C22H25NO6",
"molecular_weight": "399.4",
"state": "solid",
"clearance": "* 0.17 L/hr/kg [familial Mediterranean fever patients with end-stage renal disease]\n* 0.73 L/hr/kg [familial Mediterranean fever patients with normal renal function]",
"volume_of_distribution": "* 5 to 8 L/kg [healthy young volunteers]",
"route_of_elimination": "In healthy volunteers (n=12) 40 – 65% of 1 mg orally administered colchicine was recovered unchanged in urine.\nEnterohepatic recirculation and biliary excretion are also postulated to play a role in colchicine elimination.",
"protein_binding": "Low to moderate (30 to 50%).",
"half_life": "Elimination half-life is approximately 1 hour in healthy subjects, although a study with an extended sampling time reported mean terminal elimination half-life values of approximately 9 to 10.5 hours. Other studies have reported half-life values of approximately 2 hours in patients with alcoholic cirrhosis and approximately 2.5 hours in patients with familial Mediterranean fever.",
"absorption": "Colchicine is rapidly absorbed after oral administration, probably from the jejunum and ileum. However, the rate and extent of absorption are variable, depending on the tablet dissolution rate; variability in gastric emptying, intestinal motility, and pH at the absorption site; and the extent to which colchicine is bound to microtubules in gastrointestinal mucosal cells.",
"cid": "6167",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M04AC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020403",
"F030803"
],
"references": [
"RC03443",
"RC04921"
]
},
{
"compound_ID": "D1373",
"name": "Gamitrinib",
"synonyms": "Gamitrinib; Gamitrinib TPP pound>>G-TPP; 1131626-46-4; BCP24917",
"trade_name": "",
"abbrev_name": "",
"description": "a mitochondrium-targeted, small-molecule HSP90 inhibitor",
"molecular_formula": "C52H65N3O8P+",
"molecular_weight": "891.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "134692361",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T121"
],
"function": [
"F08"
],
"references": [
"RC03754"
]
},
{
"compound_ID": "D1374",
"name": "Irinotecan",
"synonyms": "irinotecan; 97682-44-5; (+)-Irinotecan; Camptosar; Irinotecanum; Irinotecanum [INN-Latin]; Irinotecan lactone; Irinophore C; Irinotecan mylan; Irinotecan [INN:BAN]; CPT-11; Onivyde; HSDB 7607; CHEMBL481; UNII-7673326042; (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate; CHEBI:80630; C33H38N4O6; (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE; AK163712; Irrinotecan; Biotecan; Biotecan (TN); (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12-14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, (S)-; 1,4'-bipiperidine-1'-carboxylic acid (s)-4,11-diethyl-3,4,12,14- tetrahydro-4-hydroxy-3,14-dioxo-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester; 1,4'-Bipiperidine-1'-carboxylic acid (S)-4,11-diethyl-3,4,12,14- tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester; Irinotecan (INN); PubChem13094; PubChem16441; (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylic acid ester hydrochloride; SCHEMBL4034; IRINOTECAN; CPT-11; BSPBio_002346; GTPL6823; DTXSID1041051; CTK8B3046; KS-00000NVX; 1u65; BCP02860; EBD36403; ZINC1612996; ANW-41679; BDBM50128267; NSC728073; s1198; AKOS015894969; AB07527; AC-7469; BCP9000793; CS-1138; DB00762; MCULE-1702653278; NSC-728073; NCGC00178697-02; NCGC00178697-05; (4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1H-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate; AS-14323; HY-16562; K754; LS-44589; NCI60_005051; SC-17271; AB0014364; C16641; D08086; W-5141; AB00698464-07; AB00698464-09; AB00698464-10; AB00698464-11; AB00698464_12; AB00698464_13; AB00698464_14; 682I445; Q412197; CPT-11 hydrochloride;Camptothecin 11 hydrochloride; BRD-K08547377-003-02-4; (diethyl-hydroxy-dioxo-[?]yl) 4-(1-piperidyl)piperidine-1-carboxylate; (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-(piperidin-1-yl)piperidine-1-carboxylate; (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3'',4'':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4''-BIPIPERIDINE-1''-CARBOXYLATE; (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate; [1,4'']bipiperidinyl-1''-carboxylic acid (S)-4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester; [1,4'']Bipiperidinyl-1''-carboxylic acid 4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester; Irinotecan;Irinotecan hydrochloride;(+)-7-Ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin, monohydrochloride, trihydrate;[1,4-Bipiperidine]-1-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl ester, hydrochloride, hydrate (1:1:3);IRINOTECAN;irrinotecan",
"trade_name": "Camptosar, Campto, Onivyde",
"abbrev_name": "",
"description": "antineoplastic enzyme inhibitor; derivative of camptothecin; inhibits the action of topoisomerase I (prevents religation of the DNA strand by binding to topoisomerase I-DNA complex, and causes double-strand DNA breakage and cell death)",
"molecular_formula": "C33H38N4O6",
"molecular_weight": "586.7",
"state": "solid",
"clearance": "* 13.3 L/h/m^2 [Dose of 125 mg/m^2, patients with solid tumours] \n* 13.9 L/h/m^2 [Dose of 340 mg/m^2, patients with solid tumours] \n",
"volume_of_distribution": "The volume of distribution of terminal elimination phase is 110 L/m^2 when a dose of 125 mg/m^2 is given to patients with solid tumours. The volume of distribution of terminal elimination phase is 234 L/m^2 when a dose of 340 mg/m^2 is given to patients with solid tumours.",
"route_of_elimination": "The cumulative biliary and urinary excretion of irinotecan and its metabolites (SN-38 and SN-38 glucuronide) over a period of 48 hours following administration of irinotecan in two patients ranged from approximately 25% (100 mg/m2) to 50% (300 mg/m2).",
"protein_binding": "30%-68% protein bound, mainly to albumin.",
"half_life": "The half life of irinotecan is about 6 - 12 hours. The terminal elimination half-life of the active metabolite, SN-38 is 10 - 20 hours.",
"absorption": "The maximum plasma concentration (Cmax) when a dose of 125 mg/m^2 is given to patients with solid tumours is 1660 ng/mL. The AUC (0-24) is 10,200 ng·h/mL. The Cmax when a dose of 340 mg/m^2 is given to patients with solid tumours is 3392 ng/mL. The AUC (0-24) is 20,604 ng·h/mL.",
"cid": "60838",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX19",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC03554"
]
},
{
"compound_ID": "D1375",
"name": "Carbamazepine",
"synonyms": "carbamazepine; 298-46-4; Tegretol; Carbamazepen; 5H-Dibenzo[b,f]azepine-5-carboxamide; Carbazepine; Finlepsin; Biston; Equetro; 5H-Dibenz[b,f]azepine-5-carboxamide; Carbamezepine; Tegretal; Epitol; Karbamazepin; Carbatrol; Neurotol; Timonil; Carbamazepin; Stazepine; Telesmin; Lexin; Tegretol-Xr; benzo[b][1]benzazepine-11-carboxamide; Carbamazepina; Carbamazepinum; Amizepin; Bipotrol; Teril; Geigy 32883; 5-Carbamyl-5H-dibenzo(b,f)azepine; 5-Carbamoyl-5H-dibenzo(b,f)azepine; 5H-Dibenz(b,f)azepine-5-carboxamide; Calepsin; Carnexiv; 5-Carbamoyl-5H-dibenz(b,f)azepine; 5-Carbamoyl-5H-dibenz[b,f]azepine; G 32883; G-32883; NSC 169864; Carbamazepinum [INN-Latin]; Carbamazepina [INN-Spanish]; CHEBI:3387; UNII-33CM23913M; HSDB 3019; EINECS 206-062-7; CBZ; CHEMBL108; BRN 1246090; 5-Carbamyldibenzo(b,f)azepine; MLS000069652; 5-Carbamoyldibenzo(b,f)azepine; dibenzo[b,f]azepine-5-carboxamide; MFCD00005073; NSC169864; 33CM23913M; Carbamazepine, 98%; NSC-169864; Tegretol,Carbamazepine; NCGC00015234-11; AK116064; CAS-298-46-4; SMR000058201; Stazepin; DSSTox_CID_2731; 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2-carboxamide; DSSTox_RID_76704; DSSTox_GSID_22731; Q-200792; Carbazepin; 5H-dibenzo[b,f]azepine-5-carboxamide;Oxcarbazepine IMpurity A; Amizepine; Carbelan; Sirtal; Tegretol Cr; SMR001227191; SR-01000000229; Carbatrol extended-release; Trimonil; Neurotop retard; Tegretol (TN); Prestwick_104; Equetro (TN); Carbamazepine [USAN:INN:BAN:JAN]; Carbamazepine, powder; Carbamazepine(Atretol); Opera_ID_72; Spectrum_000096; Carbamazepine [USAN:USP:INN:BAN:JAN]; Carbamazepine_194_ p; carbamazepine (Tegretol); Prestwick0_000052; Prestwick1_000052; Prestwick2_000052; Prestwick3_000052; Spectrum2_000125; Spectrum3_000325; Spectrum4_000262; Spectrum5_000936; Carbamazepine (Carbatrol); Lopac-C-4024; ChemDiv1_018966; CBChromo1_000350; Epitope ID:174842; Iminostilbene-N-carboxamide; Lopac0_000292; Oprea1_790775; SCHEMBL21639; BSPBio_000203; BSPBio_001929; KBioGR_000724; KBioSS_000516; MLS001055475; MLS001074172; MLS002548877; BIDD:GT0479; DivK1c_000388; DivK1c_003750; SPECTRUM1500159; SPBio_000170; SPBio_002124; BPBio1_000225; GTPL5339; ZINC4785; DTXSID4022731; SCHEMBL19838283; HMS501D10; HMS640O02; KBio1_000388; KBio2_000516; KBio2_003084; KBio2_005652; KBio3_001149; WLN: T C676 BNJ BVZ; AOB5783; Carbamazepine (JP17/USP/INN); CBZ;NSC 169864; SPD-417; Carbamazepine, analytical standard; NINDS_000388; HMS1568K05; HMS1920I17; HMS2090M07; HMS2091O19; HMS2095K05; HMS2233G16; HMS3039K09; HMS3259B21; HMS3260L06; HMS3372J13; HMS3657G03; HMS3712K05; HMS3747E03; Pharmakon1600-01500159; ACT02606; BCP21380; HY-B0246; KS-00000KI8; 5-Carbomoyl-5H-dibenzo(b,f)azepine; Tox21_110104; Tox21_202273; Tox21_300195; Tox21_500292; BBL005372; BDBM50003659; BG0497; CCG-38931; GP8250; NSC755920; s1693; STK177357; STL453548; 11-benzo[b][1]benzazepinecarboxamide; 5H-Dibenz[b,f]azepine-5-carboxamine; Carbamazepine 1.0 mg/ml in Methanol; AKOS003235644; AKOS025397243; IMED104589831; Tox21_110104_1; AC-9538; CS-2225; DB00564; KS-5146; LP00292; MCULE-9121567287; NC00679; NSC-755920; SDCCGSBI-0050280.P005; 5H-Dibenz[ b, f]azepine-5-carboxamide; CDS1_002710; IDI1_000388; 5H-Dibenzo[b,f]azepine-5-carboxamide #; NCGC00015234-01; NCGC00015234-02; NCGC00015234-03; NCGC00015234-04; NCGC00015234-05; NCGC00015234-06; NCGC00015234-07; NCGC00015234-08; NCGC00015234-09; NCGC00015234-10; NCGC00015234-12; NCGC00015234-13; NCGC00015234-14; NCGC00015234-15; NCGC00015234-16; NCGC00015234-19; NCGC00023877-03; NCGC00023877-04; NCGC00023877-05; NCGC00023877-06; NCGC00023877-07; NCGC00023877-08; NCGC00253982-01; NCGC00259822-01; NCGC00260977-01; CC-25382; CC-25383; H495; LS-60362; SC-16243; ST075773; SY002823; (z)-5h-dibenzo[b,f]azepine-5-carboxamide; SBI-0050280.P004; 5H-dibenzo[b,f]azepine-5-carboximidic acid; AB0070254; DB-047659; Dibenzo[b,f]azepine-5-carboxylic acid amide; EU-0100292; FT-0602927; FT-0696814; H2605; SW220141-1; EN300-21678; BIM-0050280.0001; C 4024; C06868; Carbamazepine, meets USP testing specifications; D00252; 5H-Dibenz(b,f)azepine-5-carboxamide maleic acid; 5H-Dibenz(b,f)azepine-5-carboxamide oxalic acid; AB00051931-17; AB00051931-18; AB00051931_19; AB00051931_20; A820074; C-13993; Q410412; carbamazepine host structure with maleic acid removed; carbamazepine host structure with oxalic acid removed; SR-01000000229-2; SR-01000000229-4; SR-01000000229-7; 5H-Dibenz(b,f)azepine-5-carboxamide DL-tartaric acid; BRD-K71799949-001-06-7; F0348-2551; Z2199879032; carbamazepine host structure with DL-tartaric acid removed; Dibenzo[b,f]azepine-5-carboxylic acid amide(Carbamazepine); carbamazepine host structure with 4-hydroxybenzoic acid removed; Carbamazepine, British Pharmacopoeia (BP) Reference Standard; Carbamazepine, European Pharmacopoeia (EP) Reference Standard; Carbamazepine, United States Pharmacopeia (USP) Reference Standard; Carbamazepine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Carbamazepine, Pharmaceutical Secondary Standard; Certified Reference Material; N6W",
"trade_name": "Tegretol, Temporol, Neurotol",
"abbrev_name": "CBZ",
"description": "nticonvulsant drug ; analgesic drug",
"molecular_formula": "C15H12N2O",
"molecular_weight": "236.27",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "72% of the dose is in the urine while 28% is in the feces. Hydroxylated and conjugated metabolites are largely what was recovered in the urine. 3% of the dose is recovered as unchanged carbamazepine.",
"protein_binding": "76% bound to plasma proteins.",
"half_life": "Initial half-life values range from 25-65 hours, decreasing to 12-17 hours on repeated doses.",
"absorption": "In clinical studies, carbamazepine suspension, conventional tablets, and extended-release tablets delivered equivalent amounts of drug to the systemic circulation. However, it has been observed that the suspension is somewhat faster absorbed. Furthermore, the extended-release tablet is slightly slower than the conventional tablet. The bioavailability of the extended-release tablet is 89%, compared to the suspension. Plasma levels of carbamazepine are variable. The time to peak concentration for the different formulations are as follows:\nSuspension = 1.5 hours;\nConventional tablets = 4-5 hours;\nExtended-release tablets = 3-12 hours.",
"cid": "2554",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N03AF01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T408"
],
"function": [
"F0108",
"F0201",
"F02060101",
"F0303"
],
"references": [
"RC03551",
"RC04039",
"RC04163",
"RC04287",
"RC04411",
"RC04535"
]
},
{
"compound_ID": "D1376",
"name": "Oxythiamine",
"synonyms": "OXYTHIAMINE; oxythiamine(1+); UNII-1MF36SYZ22; Oxythiamin; 136-16-3; 1MF36SYZ22; CHEBI:78249; 5-(2-Hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-thiazolium; BRN 4153910; 5-(2-Hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride; Thiazolium, 5-(2-hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-; Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-; Oxythiamine (Hydroxythiamin); CHEMBL3305956; SCHEMBL13741267; CTK8A3974; ZINC13520371; AKOS032954800; HY-107430; CS-0028461; NS00042525; Q27147706; 5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium",
"trade_name": "",
"abbrev_name": "",
"description": "a 1,3-thiazolium cation; an antimetabolite and a vitamin B1 antagonis",
"molecular_formula": "C12H16N3O2S+",
"molecular_weight": "266.34",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8682",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T080"
],
"function": [
"F020401"
],
"references": [
"RC03689"
]
},
{
"compound_ID": "D1377",
"name": "Imatinib",
"synonyms": "Imatinib; 152459-95-5; STI571; Glivec; Imatinib (STI571); sti-571; Cgp 57148; Imatinib [INN:BAN]; Imatinib free base; STI 571; N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; UNII-BKJ8M8G5HI; Imatinib Methansulfonate; CCRIS 9076; CGP 57148B; CGP-57148; BKJ8M8G5HI; 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide; CHEMBL941; CHEBI:45783; NSC743414; alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide; 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide; N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide; AK107630; 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide; 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide; 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide; Benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-; benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-; STI; Q-201231; alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide; Imatinib (INN); N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; Imatinib (Gleevec); Glamox (TN); C29H31N7O; SR-01000763561; NCGC00159456-02; ST1571; ST 1571; imatinib-CD3; 1iep; 1xbb; Gleevec(TM); 4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl)-benzamide; 4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl}-benzamide; 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide; Imatinib - Gleevec; Imatinib, 21; Kinome_3724; 112GI019; ACMC-20a8ej; Gleevec (TN) (Novartis); cid_5291; SCHEMBL3827; STI-571; IMATINIB; KSC919A1B; BIDD:GT0047; GTPL5687; DTXSID3037125; BDBM13530; CTK8B9010; EX-A063; QCR-269; BCPP000205; HMS2089D03; HMS3244P06; HMS3244P10; HMS3244P14; HMS3656K04; HMS3715P03; Pharmakon1600-01502276; BCP01542; KS-00000GF2; AC-524; ANW-61817; NSC759854; STK617705; VCC905240; ZINC19632618; AKOS000280662; API0024674; BCP9000775; CCG-101289; CS-0964; DB00619; ES-0058; MCULE-2384256888; NSC-743414; NSC-759854; SB17306; MRF-0000449; NCGC00159456-03; NCGC00159456-04; NCGC00159456-05; NCGC00159456-06; NCGC00159456-07; NCGC00159456-09; NCGC00159456-16; 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide methanesulfonate; HY-15463; N-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; AB0044023; AX8134347; LS-182208; LS-187106; AM20090646; FT-0651483; I0906; NS00009172; S2475; SW197805-5; D08066; W-3956; 12810-EP2269994A1; 12810-EP2270008A1; 12810-EP2272827A1; 12810-EP2275412A1; 12810-EP2275413A1; 12810-EP2277865A1; 12810-EP2287156A1; 12810-EP2289892A1; 12810-EP2291366A2; 12810-EP2292234A1; 12810-EP2292617A1; 12810-EP2305667A2; 12810-EP2308855A1; 12810-EP2311807A1; 12810-EP2311821A1; 12810-EP2311840A1; 12810-EP2316831A1; 12810-EP2316832A1; 12810-EP2316833A1; AB00698388-07; AB00698388-10; AB00698388-11; AB00698388-12; AB00698388-13; AB00698388_15; AB00698388_16; 459I955; Q177094; SR-01000763561-4; SR-01000763561-6; BRD-K92723993-066-02-9; BRD-K92723993-066-04-5; Z1551429727; 1080014-82-9; 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide; 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3- pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide; 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide; 4-[(4-methyl-1-piperazinyl)methyl]-n[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide; Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9CI); Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1);4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide monomethanesulfonate;imatinib;Imatinib mesylate",
"trade_name": "Gleevec, Glivec",
"abbrev_name": "CGP57148B,STI571",
"description": "a small molecule kinase inhibitor",
"molecular_formula": "C29H31N7O",
"molecular_weight": "493.6",
"state": "solid",
"clearance": "* 8 L/h [50-year-old CML and GIST patient weighing 50 kg]\n* 14 L/h [50-year-old CML and GIST patient weighing 100 kg]",
"volume_of_distribution": "",
"route_of_elimination": "Imatinib elimination is predominately in the feces, mostly as metabolites. 81% of the dose is eliminated within 7 days, in feces (68% of the dose) and urine (13% of the dose). Unchanged imatinib accounted for 25% of the dose (5% urine, 20% faces), the remainder being metabolites.",
"protein_binding": "95% protein bound, mostly to albumin and alpha-1-acid glycoprotein.",
"half_life": "Following oral administration in healthy volunteers, the elimination half-lives of imatinib and its major active metabolite, the N-demethyl derivative (CGP74588) are approximately 18 and 40 hours, respectively.",
"absorption": "The pharmacokinetics in CML and GIST patients are similar. Imatinib is well absorbed with mean absolute bioavailability is 98% and maximum plasma levels achieved within 2-4 hours of dosing",
"cid": "5291",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F020401",
"F0303"
],
"references": [
"RC03688",
"RC04074",
"RC04198",
"RC04322",
"RC04446",
"RC04570"
]
},
{
"compound_ID": "D1378",
"name": "3-Bromopyruvate",
"synonyms": "3-bromopyruvic acid; bromopyruvic acid; 1113-59-3; 3-bromo-2-oxopropanoic acid; 3-Bromo-2-oxopropionic acid; bromopyruvate; 3-bromopyruvate; Bromopyruvicacid; Pyruvic acid, bromo-; Propanoic acid, 3-bromo-2-oxo-; C3H3BrO3; UNII-63JMV04GRK; .beta.-Bromopyruvic acid; EINECS 214-206-5; MFCD00002587; NSC 11731; NSC 62343; BRN 1746786; 63JMV04GRK; 3-bromo-2-oxo-propionic acid; BPV; bromo-2-oxopropanoic acid; ACMC-1C0WT; SCHEMBL8126; NCIOpen2_000241; KSC492K2T; 3-BP; 3-bromo-2-keto-propionic acid; CHEMBL177837; 3-Bromo-2-oxopropanoic acid #; 3-Bromopyruvic acid hydrate,98; DTXSID7040940; CHEBI:95046; CTK3J2529; KS-00000WGC; CHEBI:131461; Hexokinase II Inhibitor II;3-BP; HMS3741K19; HMS3866H13; ACT09279; NSC11731; NSC62343; ZINC1718542; ANW-43645; NSC-11731; NSC-62343; s5426; SBB053571; Bromopyruvic acid, >=97.0% (T); AKOS015892643; AM84337; CCG-266336; CS-5517; MCULE-4768170572; AS-16146; DA-15474; HY-19992; S691; SC-15238; LS-139787; AK00558616; B1153; FT-0623262; NS00023565; ST51037166; EN300-67360; A-2150; Bromopyruvic acid; 3-bromo-2-oxopropanoic acid; J-511892; J-650255; Q3608257; BRD-K92980438-001-01-7; Z2690354216",
"trade_name": "",
"abbrev_name": "",
"description": "a 2-oxo monocarboxylic; synthetic brominated derivative and structural analog of pyruvic acid; Highly reactive alkylating agent; Anti-cancer drug",
"molecular_formula": "C3H3BrO3",
"molecular_weight": "166.96",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "70684",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T067"
],
"function": [
"F020401",
"F020403"
],
"references": [
"RC03687",
"RC04906"
]
},
{
"compound_ID": "D1379",
"name": "atorvastatin",
"synonyms": "atorvastatin; 134523-00-5; Cardyl; Tozalip; Xavator; Lipitor; Torvast; Sotis; ATORVASTATIN CALCIUM; Atorvastatin [INN:BAN]; 110862-48-1; UNII-A0JWA85V8F; CCRIS 7159; C33H35FN2O5; HSDB 7039; Lipitor (TN); (3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid; A0JWA85V8F; CHEMBL1487; (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid; CHEBI:39548; CI 981; (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid; 134523-03-8; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (R-(R*,R*))-; Atorvastatin calcium salt; atorvastatina; atorvastatine; atrovastin; Atofast; Atorcor; Atorlip; Lipilou; Lipinon; Atorin; Ator; Lipitor(TM); (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid; (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-; Atorvastatin (INN); Sortis (TN); NCGC00159458-03; atorvastatinum; rel-Atorvastatin; 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID; Atorvastatin & Primycin; DSSTox_CID_9868; SCHEMBL3831; DSSTox_RID_78825; DSSTox_GSID_29868; (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; BIDD:GT0336; Atorvastatin (Relative Stereo); GTPL2949; DTXSID8029868; BDBM22164; CTK4B9231; DTXSID60274003; HMS3715L05; Lipilou; Tozalip; Torvast; Cardyl; ACT03225; HY-B0589; ZINC3920719; Tox21_302417; s5715; AKOS000281127; AC-9386; CCG-221172; CS-2798; DB01076; MCULE-2368532812; MRF-0000761; NCGC00159458-02; NCGC00159458-20; NCGC00255181-01; 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID; AS-35260; BR-58267; H942; LS-136975; CAS-134523-00-5; C06834; D07474; S-2492; Y-8867; 28052-EP2269989A1; 28052-EP2269990A1; 28052-EP2270011A1; 28052-EP2270505A1; 28052-EP2272825A2; 28052-EP2272841A1; 28052-EP2280001A1; 28052-EP2284158A1; 28052-EP2287165A2; 28052-EP2287166A2; 28052-EP2292600A1; 28052-EP2292620A2; 28052-EP2295406A1; 28052-EP2295409A1; 28052-EP2295417A1; 28052-EP2295422A2; 28052-EP2298731A1; 28052-EP2298742A1; 28052-EP2298745A1; 28052-EP2298769A1; 28052-EP2298772A1; 28052-EP2298776A1; 28052-EP2298779A1; 28052-EP2301923A1; 28052-EP2301931A1; 28052-EP2301936A1; 28052-EP2308839A1; 28052-EP2308878A2; 28052-EP2314588A1; 523A005; Q668093; SR-01000872702; SR-01000872702-1; ATORVASTATIN;Atorvastatin calcium;Atorvastatin Calcium; BRD-K69726342-001-02-6; UNII-36TN91XZ0V component XUKUURHRXDUEBC-KAYWLYCHSA-N; (3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxy; (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid",
"trade_name": "Lipitor, Sortis",
"abbrev_name": "",
"description": "statin; inhibiting HMG-CoA reductase",
"molecular_formula": "C33H35FN2O5",
"molecular_weight": "558.6",
"state": "solid",
"clearance": "The registered total plasma clearance of atorvastatin is of 625 ml/min.[A19474]",
"volume_of_distribution": "The reported volume of distribution of atorvastatin is of 380 L.[A177397]",
"route_of_elimination": "Atorvastatin is mainly eliminated in the bile without enterohepatic recirculation.[A177397] The renal elimination of atorvastatin is very minimal and represents less than 1% of the eliminated dose.[A19474]",
"protein_binding": "Atorvastatin is highly bound to plasma proteins and over 98% of the administered dose is found in a bound form.[A177397]",
"half_life": "The half-life of atorvastatin is of about 14 hours while the half-life of its metabolites can reach up to 30 hours.[A177397]",
"absorption": "Atorvastatin presents a dose-dependent and non-linear pharmacokinetic profile.[A177436] It is very rapidly absorbed after oral administration. After the administration of a dose of 40 mg, its peak plasma concentration of 28 ng/ml is reached 1-2 hours after initial administration with an AUC of about 200 ng.h/ml.[A177478] It does present a very large first-pass metabolism and hence, its bioavailability is of only 14%.[A177397]\n\nAdministration of atorvastatin with food results in prolonged Tmax and a reduction in Cmax and AUC.[A177415]",
"cid": "60823",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10BX11; C10BX03; C10BX06; C10AA05; C10BX15; C10BX08; C10BX12; C10BA05",
"group": "Drug",
"drug_type": "",
"target": [
"T004012",
"T387"
],
"function": [
"F010401",
"F0108",
"F020103",
"F0504"
],
"references": [
"RC03453",
"RC04658",
"RC04672",
"RC04687"
]
},
{
"compound_ID": "D1380",
"name": "pitavastatin",
"synonyms": "Pitavastatin; Itavastatin; 147511-69-1; Livalo; Pitavastatin calcium; NK 104; Pitavastatin [INN]; UNII-M5681Q5F9P; NK-104; C25H24FNO4; CHEBI:32020; M5681Q5F9P; Zypitamag; (3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid; (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid; P 872441; P-872441; ( )-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid; Pitavastatin calcium (JAN); (3R,5S,6E)-7-(2-Cyclopropyl-4-(p-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid; 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-; 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-; pitavastatia; pitavastatine; pitavastatinum; Itavastin; (3r,5s,6e)-7-[2-cyclopropyl-4-(p-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptenoic acid; 121659-03-8; SCHEMBL3369; MLS006010096; SCHEMBL464781; GTPL3035; CHEMBL1201753; DTXSID1048384; BDBM86707; HSDB 8367; HY-B0144A; ZINC1534965; 3972AH; AKOS005145916; AM84440; API0003879; CS-2110; DB08860; (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid; LS-74594; SMR003965244; CAS_147511-69-1; Q412677; BRD-K75958547-001-01-2; (3R,5S)-3,5-Dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-6-heptenoic acid; (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy hept-6-enoic acid; (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid; (E)-(3R,5S)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid; (e)-(3r,5s)-7-[2-cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6enoic acid; E-(3R,5S)-7-[2-Cyclopropyl-4-(4fluoro-phenyl)quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid; Itavastatin|||Nisvastatin|||NK-104|||P-872441|||(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid",
"trade_name": "Livalo",
"abbrev_name": "",
"description": "statin; inhibiting HMG-CoA reductase",
"molecular_formula": "C25H24FNO4",
"molecular_weight": "421.5",
"state": "solid",
"clearance": "CL/F (apparent clearance), 4 mg, healthy male Korean subjects = 23.6 L/h",
"volume_of_distribution": "148 L",
"route_of_elimination": "79% in feces and 15% excreted in urine.",
"protein_binding": ">99% protein bound in human plasma, mainly to albumin and alpha 1-acid glycoprotein.",
"half_life": "Plasma elimination half-lfie = 12 hours",
"absorption": "Bioavailability = 51%;\nTime to peak, plasma = 1 hour;\nPitavastatin was absorbed in the small intestine but very little in the colon. Cmax decreases by 43% if pitavastatin is taken with a fatty meal but there are no significant changes to AUC or baseline LDL levels compared to fasting state. The Cmax and AUC of pitavastatin did not differ following evening or morning drug administration.",
"cid": "5282452",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10AA08",
"group": "Drug",
"drug_type": "",
"target": [
"T004"
],
"function": [
"F020103"
],
"references": [
"RC03462"
]
},
{
"compound_ID": "D1382",
"name": "acylindolones",
"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": [],
"function": [
"F0105",
"F0107"
],
"references": [
"RC03500",
"RC03501"
]
},
{
"compound_ID": "D1383",
"name": "mimosine",
"synonyms": "Mimosine; (+/-)-mimosine; 10182-82-8; NSC69188; NSC159548; 1(4H)-Pyridinealanine, 3-hydroxy-4-oxo-; 3-(3-Hydroxy-4-oxopyridin-1(4H)-yl)alanine; beta-[N-(3-Hydroxy-4-pyridone)]-alpha-aminopropionic Acid; 2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid; 1(4H)-Pyridinepropanoic acid, .alpha.-amino-3-hydroxy-4-oxo-, (.alpha.S)-; 2116-55-4; beta-(N-(3-Hydroxy-4-pyridone))-alpha-aminopropionic acid; Leucenine;Leucenol; Prestwick_830; Spectrum_000287; Mimosine, (+/-)-; Prestwick0_000379; Prestwick1_000379; Prestwick2_000379; Spectrum2_000656; Spectrum3_000722; Spectrum4_000110; Spectrum5_001484; (S)-a-amino-3-hydroxy-4-oxo-1(4H)-pyridylpropionic acid; SCHEMBL41924; BSPBio_002244; KBioGR_000440; KBioSS_000767; DivK1c_001000; SPECTRUM1500869; SPBio_000691; SPBio_002458; CHEMBL251433; CHEBI:95190; CTK4A0280; HMS503G21; KBio1_001000; KBio2_000767; KBio2_003335; KBio2_005903; KBio3_001464; DTXSID80950337; WLN: T6N DVJ A1YZVQ CQ; NINDS_001000; HMS1569K19; HMS1921M08; HMS3744K15; Leucena glauca .alpha.-amino acid; 1(4H)-Pyridinepropionic acid, .alpha.-amino-3-hydroxy-4-oxo-; BCP13303; CCG-38561; NSC-69188; SBB000370; STL564778; 1(4H)-Pyridinepropanoic acid, (S)-; AKOS006228368; MCULE-6953076060; NSC-159548; SDCCGMLS-0066728.P001; IDI1_001000; NCGC00094870-01; NCGC00094870-02; NCGC00094870-03; NCGC00178740-01; NCI60_032990; ST056312; LS-131932; CS-0119397; FT-0627961; NS00043037; NS00068434; Q27166999; 2-amino-3-(3-hydroxy-4-oxohydropyridyl)propanoic acid; (2S)-2-amino-3-(3-hydroxy-4-oxohydropyridyl)propanoic acid; (2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid; 1(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-4-oxo-; 1-L-alpha-Aminopropionil, 3-hydroxi, 4-oxopiridina [Spanish]; 2-amino-3-(3-hydroxy-4-oxo-1H-pyridin-1-yl)-propanoic acid; .beta.-[N-(3-Hydroxy-4-pyridone)]-.alpha.-aminopropionic acid; 2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid; 2-AMINO-3-(3-HYDROXY-4-OXO-PYRIDIN-1-YL)PROPANOIC ACID; alpha-Amino-1,4-dihydro-3-hydroxy-4-oxopyridine-1-propionic acid; 1(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-4-oxo-, (+-)-; 27678-82-6",
"trade_name": "",
"abbrev_name": "",
"description": "a non-protein amino acid similar to tyrosine; have anti-cancer, anti-inflammatory, anti-fibrotic, anti-viral, herbicidal, and insecticidal properties; induces caspase‑9‑mediated apoptosis",
"molecular_formula": "C8H10N2O4",
"molecular_weight": "198.18",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": ">99.5%",
"half_life": "",
"absorption": "",
"cid": "3862",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0701"
],
"references": [
"RC03730"
]
},
{
"compound_ID": "D1384",
"name": "Naftifine",
"synonyms": "Naftifine; 65472-88-0; Naftifinum; Naftifina; Naftifin; Naftifine [INN:BAN]; Naftifina [INN-Spanish]; Naftifinum [INN-Latin]; (E)-N-Cinnamyl-N-methyl-1-naphthalenemethylamine; UNII-4FB1TON47A; (E)-N-Cinnamyl-N-methyl-1-naphthylmethylamin; (E)-N-Cinnamyl-N-methyl-1-naphthalinmethylamin; CHEMBL626; 4FB1TON47A; CHEBI:7451; (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine; 1-Naphthalenemethanamine, N-methyl-N-(3-phenyl-2-propenyl)-, (E)-; Naftifine (INN); (E)-N-methyl-N-(1-naphthylmethyl)-3-phenyl-prop-2-en-1-amine; N-cinnamyl-N-methyl-1-naphthalenemethylamine hydrochloride; NaftifineFTIFINE HCL; Prestwick2_001063; Prestwick3_001063; SN 105-843; SCHEMBL49141; BSPBio_001046; BPBio1_001152; SCHEMBL3692459; DTXSID6048545; CHEBI:93305; ZINC1530977; BDBM50170647; STL483692; AKOS025310693; N-Methyl-N-(1-naphthyl methyl)-3-phenyl-2-propen-1-amine(E), hydrochloride; NCGC00179332-01; AC-22577; LS-176454; AB00514711; NS00000659; C08071; D08245; AB00514711_07; AB00514711_08; 472N880; Q413586; trans-N-cinnamyl-N-methyl-(1-naphthylmethyl)amine; Methyl-naphthalen-1-ylmethyl-(3-phenyl-allyl)-amine; BRD-K43813806-003-01-0; BRD-K74141488-003-03-9; N-(3-Phenylallyl)-N-methylnaphthalene-1-methaneamine; Methyl-naphthalen-1-ylmethyl-((E)-3-phenyl-allyl)-amine; (2E)-N-methyl-N-(1-naphthylmethyl)-3-phenylprop-2-en-1-amine; (2E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine",
"trade_name": "Exoderil",
"abbrev_name": "",
"description": "an allylamine derivative, is a synthetic, broad spectrum, antifungal agent.",
"molecular_formula": "C21H21N",
"molecular_weight": "287.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Naftifine and/or its metabolites are excreted via the urine and feces with a half-life of approximately two to three days.",
"protein_binding": "",
"half_life": "Approximately 2 to 3 days following topical administration.",
"absorption": "Following single topical applications of 3H-labeled naftifine gel 1% to the skin of healthy subjects, up to 4.2% of the applied dose was absorbed.",
"cid": "47641",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D01AE22",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1385",
"name": "Dyclonine",
"synonyms": "dyclonine; Dyclocaine; Dyclonin; 586-60-7; Dyclocainum; Dycloninum; Dycloninum [INN-Latin]; Diclonina [INN-Spanish]; Dyclonine [INN:BAN]; 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one; 1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone; 3-Piperidino-4'-butoxypropiophenone; 4'-Butoxy-3-piperidinopropiophenone; UNII-078A24Q30O; 1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-; 2-(1-piperidyl)ethyl p-butoxyphenyl ketone; 4-butoxy-beta-piperidinopropiophenone; BRN 0224037; 4-n-butoxy-beta-(1-piperidyl)propiophenone; CHEBI:4724; PROPIOPHENONE, 4'-BUTOXY-3-PIPERIDINO-; 078A24Q30O; Dyclonine (INN); NCGC00016498-01; CAS-536-43-6; 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one; Dyclone (Salt/Mix); Tanaclone (Salt/Mix); Spectrum_001016; Prestwick0_000264; Prestwick1_000264; Prestwick2_000264; Prestwick3_000264; Spectrum2_001013; Spectrum3_000410; Spectrum4_000529; Spectrum5_000951; SCHEMBL25773; BSPBio_000108; BSPBio_001940; KBioGR_001137; KBioSS_001496; DivK1c_000632; SPBio_001165; SPBio_002327; AMOT0928; BPBio1_000120; GTPL7173; CHEMBL1201217; DTXSID6047864; KBio1_000632; KBio2_001496; KBio2_004064; KBio2_006632; KBio3_001160; NINDS_000632; ZINC1530940; STK524544; AKOS000505031; API0009050; DB00645; MCULE-1206604674; IDI1_000632; NCGC00016498-02; NCGC00016498-03; NCGC00016498-04; NCGC00016498-05; AC-12286; S039; ST095169; dyclonine hydrochloride;Dyclonine;dyclonine; SBI-0051358.P003; LS-125084; 1-(4-butoxyphenyl)-3-piperidylpropan-1-one; AB00053467; FT-0660914; NS00010019; C07881; D07881; AB00053467_13; AB00053467_14; Q425386; BRD-K72259270-003-05-8; BRD-K72259270-003-15-7; 1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)- (9CI)",
"trade_name": "Sucrets",
"abbrev_name": "",
"description": "oral anaesthetic",
"molecular_formula": "C18H27NO2",
"molecular_weight": "289.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "Approximately 30 to 60 minutes.",
"absorption": "Readily absorbed through mucous membranes into the systemic circulation. The rate of absorption is influenced by the vascularity or rate of blood flow at the site of application, the total dosage (concentration and volume) administered, and the duration of exposure. Absorption from mucous membranes of the throat or respiratory tract may be especially rapid.",
"cid": "3180",
"classification": "N; R",
"indications": "",
"side_effects": "",
"atc_codes": "R02AD04; N01BX02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02010202",
"F030501"
],
"references": [
"RC03731",
"RC03738"
]
},
{
"compound_ID": "D1386",
"name": "Benoxinate",
"synonyms": "Oxybuprocaine; Benoxinate; Oxybucaine; Oxyriprocaine; Oxibuprokain; Benoxil; Oxibuprocainum; 99-43-4; Conjucain; Prescaina; Novesinol; 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate; Oxibuprocaina; Oxybuprocainum; Dorsacain; Butoxyaminobenzoyldiethylaminoethanol; Novesin; Oxybuprocaine [INN:BAN]; Oxbarukain; Oxybuprocainum [INN-Latin]; Oxibuprocaina [INN-Spanish]; 4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid; S 749; 4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester; CHEBI:309594; UNII-AXQ0JYM303; BENZOIC ACID, 4-AMINO-3-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER; 4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl ester; BRN 2288926; AXQ0JYM303; 4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester [German]; butoxyprocaine; 2-(4-amino-3-butoxybenzoyl)oxyethyl-diethylazanium chloride; Novescine; 4-Amino-3-butoxybenzoic acid 2-diethylaminoethyl ester; SMR000857098; Oxybuprocaine (INN); 2-Diethylaminoethyl 4-amino-3-butoxybenzoate; NCGC00016667-01; CAS-5987-82-6; Monofree oxybuprocaine (TN); diethylaminoethyl-4-amino-3-butoxybenzoate; 4-Amino-3-butoxybenzoic acid 2-(diethylamino)ethyl ester; Minims Oxybuprocaine; 3-Butoxy-4-aminobenzoic acid 2-(diethylamino)ethyl ester; Prestwick0_000057; Prestwick1_000057; Prestwick2_000057; Prestwick3_000057; Epitope ID:122669; CHEMBL1200; 2-(diethylamino)ethyl 4-amino-3-n-butoxybenzoate; SCHEMBL25087; BSPBio_000213; MLS001332643; MLS001332644; SPBio_002134; 3-Butoxy-4-aminobenzoic acid 2-diethylaminoethyl ester; BPBio1_000235; GTPL7123; DTXSID7048530; HMS2235J23; HMS3369H13; HMS3604F05; ALBB-025704; ZINC2019492; ZX-AN024218; BBL003343; BDBM50225499; MFCD00242863; SBB065174; STK520615; AKOS005457803; Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester (7CI,8CI,9CI); API0015835; DB00892; MCULE-5566120451; NCGC00016667-02; NCGC00016667-05; BS-18026; LS-35639; AB0218160; 4675B; FT-0659855; NS00002761; R1237; ST45028778; D08319; 2-(Diethylamino)ethyl 4-amino-3-butoxy-benzoate; 099A434; Q1530958; 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate (HCl); Benoxinate;Conjucain; Dorsacain; Novesinol; Oxybucaine; BRD-K04185004-003-03-6; 2-(4-amino-3-butoxy-benzoyl)oxyethyl-diethyl-ammonium chloride; Benoxinate hydrochloride;Oxybuprocaine;Benoxinate;oxybuprocaine",
"trade_name": "",
"abbrev_name": "",
"description": "oral anaesthetic",
"molecular_formula": "C17H28N2O3",
"molecular_weight": "308.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "4633",
"classification": "D; S",
"indications": "",
"side_effects": "",
"atc_codes": "D04AB03; S01HA02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030501"
],
"references": [
"RC03732"
]
},
{
"compound_ID": "D1387",
"name": "Phenyl aminosalicylate",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "antibiotic",
"molecular_formula": "C13H11NO3",
"molecular_weight": "229.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8609",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030501"
],
"references": [
"RC03733"
]
},
{
"compound_ID": "D1388",
"name": "Yohimbine",
"synonyms": "Yohimbine; Yohimbin; Quebrachin; 146-48-5; Quebrachine; Corynine; APHRODINE; Yohimbic acid methyl ester; Aphrosol; (+)-Yohimbine; Johimbin; Actibine; UNII-2Y49VWD90Q; 17-Hydroxyyohimban-16-carboxylic acid methyl ester; EINECS 205-672-0; BRN 0097276; CHEMBL15245; 2Y49VWD90Q; 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester; Yohimex; CHEBI:10093; Yocon; (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester; methyl 17alpha-hydroxyyohimban-16alpha-carboxylate; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-; Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester; DSSTox_CID_20130; DSSTox_RID_79446; DSSTox_GSID_40130; methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate; YOHIMBINE CHLORIDE; CHEMBL537669; Yohimbine (DCF); CAS-146-48-5; methyl (2S,13bS,14aS,1R,4aR)-2-hydroxy-1,2,3,4,5,8,14,13b,14a,4a-decahydrobenz o[1,2-g]indolo[2,3-a]quinolizinecarboxylate; methyl hydroxy[?]carboxylate; trans-Quinolizidine yohimbine; YOHIMBE HYDROCHLORIDE; CCRIS 9415; SR-01000075297; Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.; Yohimbe bark extract; Amberlite CG-400; NSC19509; Prestwick0_000584; Prestwick1_000584; Prestwick2_000584; Prestwick3_000584; Yohimbe Extract Yohimbine; cid_6169; cid_8969; Lopac0_001210; SCHEMBL33954; BSPBio_000428; BSPBio_001236; GTPL102; KBioGR_000576; KBioSS_000576; 4-25-00-01237 (Beilstein Handbook Reference); MLS000728591; SPBio_002647; BPBio1_000472; Yohimbol-16alpha-carboxylic acid, methyl ester (6CI); DTXSID9040130; BCBcMAP01_000032; KBio2_000576; KBio2_003144; KBio2_005712; KBio3_001031; KBio3_001032; Bio1_000455; Bio1_000944; Bio1_001433; Bio2_000458; Bio2_000938; HMS1362N17; HMS1792N17; HMS1990N17; HMS2089G19; HMS2234C18; methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate; ZINC3860825; Tox21_110019; BDBM50013515; BDBM50203564; AKOS015902024; Tox21_110019_1; Yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI); API0006398; CCG-205284; CS-5173; DB01392; GS-5751; MCULE-1043513122; SDCCGSBI-0051177.P002; IDI1_002213; MRF-0000020; SMP1_000320; NCGC00013260-01; NCGC00025018-05; NCGC00025018-06; NCGC00025018-07; NCGC00025018-10; NCGC00025018-11; HY-12715; SC-25096; SMR000470778; 17a-hydroxy-16a-methoxycarbonyl-yohimbane; LS-162738; 65Y190; C09256; D08685; Q412226; SR-01000075297-5; BRD-K35586044-001-02-6; BRD-K35586044-003-03-0; BRD-K35586044-003-11-3; yohimbine;Yohimbine hydrochloride;yohimbine hydrochloride; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9CI); (1R,2S,4aR,13bS,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester hydrochloride; 103834-06-6; 37247-87-3",
"trade_name": "",
"abbrev_name": "",
"description": "an indoloquinolizidine alkaloid; an alpha-2 adrenergic antagonist",
"molecular_formula": "C21H26N2O3",
"molecular_weight": "354.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "Elimination half-life is approximately 36 minutes.",
"absorption": "Rapidly absorbed following oral administration. Bioavailability is highly variable, ranging from 7 to 87% (mean 33%).",
"cid": "8969",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G04BE04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02010202",
"F030501"
],
"references": [
"RC03736",
"RC03737"
]
},
{
"compound_ID": "D1389",
"name": "Doxepin",
"synonyms": "doxepin; (e)-doxepin; Doxepine; Doxepinum [INN-Latin]; Doxepina [INN-Spanish]; Doxepin [USAN]; Sinequan; trans-doxepin; 1668-19-5; MF 10; UNII-851NLB57HQ; CCRIS 9176; HSDB 3069; Sinequan (TN); Cidoxepina; Cidoxepinum; 11-(3-(Dimethylamino)propylidene)-6H-dibenz(b,e)oxepine; 851NLB57HQ; 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz(b,e)oxipin; 11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin; N,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine; Cidoxepin [INN]; Doxepina; Doxepinum; 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine; (3e)-3-(Dibenzo[b,E]oxepin-11(6h)-Ylidene)-N,N-Dimethylpropan-1-Amine; 3607-34-9; C19H21NO; Deptran; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-; Dibenz(b,e)oxepin-delta(sup 11(6H)),gamma-propylamine, N,N-dimethyl-; Doxepin (INN); [11C]doxepin; [11C]-doxepin; Doxepin, (E)-; (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine; Doxepin [INN:BAN]; NCGC00015344-03; CAS-1229-29-4; cis-N-(3-(6H-Dibenz(b,e)oxepin-11-yliden)propyl)-N,N-dimethylamin; Doxepin Hydrochloride,; E-DOXEPIN; Tocris-0508; Prestwick2_000263; Prestwick3_000263; Lopac-D-4526; CHEMBL860; Doxepin [USAN:INN:BAN]; Lopac0_000339; BSPBio_000106; SCHEMBL116895; BPBio1_000118; GTPL1225; GTPL3958; ZINC1331; DTXSID7022966; BDBM112780; Doxepin hydrochloride;Doxepin;Doxepine; CCG-204434; SDCCGSBI-0050327.P002; NCGC00015344-01; NCGC00015344-02; NCGC00015344-04; NCGC00024623-01; NCGC00162127-01; LS-61638; US8629135, SW-07; AX8126881; LS-174582; C06971; D07875; L000699; BRD-K36616567-003-01-5; BRD-K54462405-003-03-3; BRD-K54462405-003-16-5; Q27077103; UNII-5ASJ6HUZ7D component ODQWQRRAPPTVAG-GZTJUZNOSA-N; 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine; (E)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine; 5EH; curatin, lindo, doxepin, doxepinbiomo, stada, doxepin, quitaxon, doxepin teva, doxepin rph, espadox, doxepin hcl, prudoxin",
"trade_name": "",
"abbrev_name": "",
"description": "a psychotropic agent with antidepressant and anxiolytic properties",
"molecular_formula": "C19H21NO",
"molecular_weight": "279.4",
"state": "solid",
"clearance": "The mean total apparent plasma clearance of a single oral dose of 50 mg doxepin in healthy individuals is 0.93 l/hr/kg.[A1945]",
"volume_of_distribution": "The mean apparent volume of distribution of doxepin is reported to be of 20 L/kg.[T388]",
"route_of_elimination": "The elimination profile of doxepin is presented as biphasic.[A1945] It is excreted in the urine mainly in the form of glucuronide conjugates. Less than 3% of a doxepin dose is excreted in the urine as parent compound or nordoxepin.[L1347]\n",
"protein_binding": "Equilibrium dialysis indicates a mean protein binding of 75.5% for doxepin and 76% for desmethyldoxepin.[A1945]",
"half_life": "The mean elimination half-life is reported to be of 15 hours.[T388]",
"absorption": "Doxepin is moderately absorbed following oral ingestion with a bioavailability of 30%.[T388] The median peak concentration of doxepin ranges from 8.8-45.8 ng/ml and it is achieved 3.5 hours after initial administration. Its absorption is increased with concomitant administration of a high-fat meal.[L5995]",
"cid": "667477",
"classification": "D; N",
"indications": "",
"side_effects": "",
"atc_codes": "D04AX01; N06AA12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030501"
],
"references": [
"RC03741"
]
},
{
"compound_ID": "D1390",
"name": "Caffeine",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H10N4O2",
"molecular_weight": "194.19",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 0.8 to 0.9 L/kg [infants]\n* 0.6 L/kg [adults]",
"route_of_elimination": "In young infants, the elimination of caffeine is much slower than that in adults due to immature hepatic and/or renal function.",
"protein_binding": "Low (25 to 36%).",
"half_life": "3 to 7 hours in adults, 65 to 130 hours in neonates",
"absorption": "Readily absorbed after oral or parenteral administration. The peak plasma level for caffeine range from 6-10mg/L and the mean time to reach peak concentration ranged from 30 minutes to 2 hours.",
"cid": "2519",
"classification": "V; N; R",
"indications": "",
"side_effects": "",
"atc_codes": "V04CG30; N06BC01; R03DA20",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T387",
"T408"
],
"function": [
"F010401",
"F0108",
"F0201",
"F0303",
"F0504"
],
"references": [
"RC04037",
"RC04161",
"RC04285",
"RC04409",
"RC04533",
"RC04641",
"RC04644",
"RC04647"
]
},
{
"compound_ID": "D1391",
"name": "Cefixime",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H15N5O7S2",
"molecular_weight": "453.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "65% (concentration independent)",
"half_life": "3-4 hours (may range up to 9 hours). In severe renal impairment (5 to 20 mL/min creatinine clearance), the half-life increased to an average of 11.5 hours.",
"absorption": "About 40%-50% absorbed orally whether administered with or without food, however, time to maximal absorption is increased approximately 0.8 hours when administered with food.",
"cid": "5362065",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J01DD08",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04040",
"RC04164",
"RC04288",
"RC04412",
"RC04536"
]
},
{
"compound_ID": "D1392",
"name": "Chlorambucil",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H19Cl2NO2",
"molecular_weight": "304.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Chlorambucil is extensively metabolized in the liver primarily to phenylacetic acid mustard. The pharmacokinetic data suggests that oral chlorambucil undergoes rapid gastrointestinal absorption and plasma clearance and that it is almost completely metabolized, having extremely low urinary excretion.",
"protein_binding": "0.99",
"half_life": "1.5 hours",
"absorption": "",
"cid": "2708",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01AA02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04041",
"RC04165",
"RC04289",
"RC04413",
"RC04537"
]
},
{
"compound_ID": "D1393",
"name": "Clodronate",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "CH4Cl2O6P2",
"molecular_weight": "244.89",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "2%-36%",
"half_life": "Approximately 13 hours.",
"absorption": "After oral administration, absorption is estimated at 1–3% of the ingested dose because of the low uptake from the gastrointestinal tract.",
"cid": "25419",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M05BA02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04043",
"RC04167",
"RC04291",
"RC04415",
"RC04539"
]
},
{
"compound_ID": "D1394",
"name": "Dronedarone",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "antiarrhythmic drug with benzofuran structure",
"molecular_formula": "C31H44N2O5S",
"molecular_weight": "556.8",
"state": "solid",
"clearance": "Plasma clearance = 130-150 L/h.",
"volume_of_distribution": "When intravenously administered, the volume of distribution is 1400 L.",
"route_of_elimination": "6% of the dose was excreted in the urine, mainly as metabolites (no unchanged compound excreted in urine), and 84% was excreted in feces, mainly as metabolites.",
"protein_binding": "Dronedarone and its N-debutyl metabolite is >98% protein bound - mainly to albumin.",
"half_life": "Elimination half-life: 13-19 hours",
"absorption": "Because of presystemic first pass metabolism the absolute bioavailability of dronedarone without food is low, about 4%. It increases to approximately 15% when dronedarone is administered with a high fat meal. After oral administration in fed conditions, peak plasma concentrations of dronedarone and the main circulating active metabolite (N-debutyl metabolite) are reached within 3 to 6 hours. After repeated administration of 400 mg twice daily, steady state is reached within 4 to 8 days of treatment. The steady state Cmax and exposure of the main N-debutyl metabolite is similar to that of the parent compound.",
"cid": "208898",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01BD07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020601"
],
"references": [
"RC03759"
]
},
{
"compound_ID": "D1395",
"name": "piceatannol",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "glucoside, astringin, are phenolic compounds; an analog of resveratrol; metabolite of resveratrol found in red wine, grapes etc.",
"molecular_formula": "C14H12O4",
"molecular_weight": "244.24",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "667639",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T489"
],
"function": [
"F030804"
],
"references": [
"RC03783"
]
},
{
"compound_ID": "D1396",
"name": "Tetramethylpyrazine",
"synonyms": "",
"trade_name": "Ligustrazine; Tetrapyrazine",
"abbrev_name": "",
"description": "alkylpyrazine; a chemical compound found in nattō and in fermented cocoa beans",
"molecular_formula": "C8H12N2",
"molecular_weight": "136.19",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14296",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T489"
],
"function": [],
"references": [
"RC03784"
]
},
{
"compound_ID": "D1397",
"name": "U74389G",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "a potent 21-aminosteroid antioxidant",
"molecular_formula": "C37H50N6O2",
"molecular_weight": "610.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "104934",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T489"
],
"function": [],
"references": [
"RC03785"
]
},
{
"compound_ID": "D1398",
"name": "Tanshinone IIA",
"synonyms": "1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione, Dan Shen ketone",
"trade_name": "",
"abbrev_name": "",
"description": "Phenanthrenequinone constituent of Chinese medicinal herb Danshen; Anti-inflammatory; Antioxidant",
"molecular_formula": "C19H18O3",
"molecular_weight": "294.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "164676",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T489"
],
"function": [],
"references": [
"RC03786"
]
},
{
"compound_ID": "D1399",
"name": "Terbinafine",
"synonyms": "",
"trade_name": "Lamisil",
"abbrev_name": "TRB",
"description": "antifungal",
"molecular_formula": "C21H25N",
"molecular_weight": "291.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Prior to excretion, terbinafine is extensively metabolized.",
"protein_binding": ">99%",
"half_life": "36 hours",
"absorption": "Readily absorbed from gastrointestinal tract.",
"cid": "1549008",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D01AE15; D01BA02",
"group": "Drug",
"drug_type": "",
"target": [
"T489"
],
"function": [
"F020603",
"F0504"
],
"references": [
"RC03787",
"RC03961",
"RC03965",
"RC03969"
]
},
{
"compound_ID": "D1400",
"name": "Chloroquine",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "prevent and treat malaria; drug class 4-aminoquinoline",
"molecular_formula": "C18H26ClN3",
"molecular_weight": "319.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Excretion of chloroquine is quite slow, but is increased by acidification of the urine.",
"protein_binding": "~55% of the drug in the plasma is bound to nondiffusible plasma constituents",
"half_life": "1-2 months",
"absorption": "Completely absorbed from gastrointestinal tract",
"cid": "2719",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P01BA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010503",
"F0703"
],
"references": [
"RC03790",
"RC03820"
]
},
{
"compound_ID": "D1401",
"name": "Brefeldin A",
"synonyms": "",
"trade_name": "",
"abbrev_name": "BFA",
"description": "a lactone antiviral compound; inhibits protein transport from the endoplasmic reticulum to the golgi complex indirectly by preventing association of COP-I coat to the Golgi membrane; inhibit protein secretion",
"molecular_formula": "C16H24O4",
"molecular_weight": "280.36",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5287620",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020403",
"F0703"
],
"references": [
"RC03791",
"RC04915"
]
},
{
"compound_ID": "D1402",
"name": "Tunicamycin",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "mixture of homologous nucleoside antibiotics that inhibits the UDP-HexNAc; causes cell cycle arrest in G1 phase; induce unfolded protein response",
"molecular_formula": "C30H46N4O16",
"molecular_weight": "718.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6433557",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0703"
],
"references": [
"RC03792"
]
},
{
"compound_ID": "D1403",
"name": "Gingerol",
"synonyms": "6- Gingerol",
"trade_name": "",
"abbrev_name": "",
"description": "a phenol phytochemical compound found in fresh ginger that activates spice receptors on the tongue",
"molecular_formula": "C17H26O4",
"molecular_weight": "294.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "442793",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0703"
],
"references": [
"RC03794"
]
},
{
"compound_ID": "D1404",
"name": "Staurosporine",
"synonyms": "antibiotic AM-2282 or STS",
"trade_name": "",
"abbrev_name": "STS",
"description": "microbial alkaloids with bis-indole chemical structure; inhibition of protein kinases through the prevention of ATP binding to the kinase; potent, non-selective inhibitor of protein kinases, including protein kinase C; anti-fungal; anti-hypertensive",
"molecular_formula": "C28H26N4O3",
"molecular_weight": "466.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "44259",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0504",
"F0703"
],
"references": [
"RC03795",
"RC03991"
]
},
{
"compound_ID": "D1405",
"name": "alpha-Cyano-4-hydroxycinnamate",
"synonyms": "",
"trade_name": "",
"abbrev_name": "CHC, CHCA, HCCA",
"description": "cinnamic acid derivative; phenylpropanoid",
"molecular_formula": "C10H7NO3",
"molecular_weight": "189.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5328791",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T085",
"T104"
],
"function": [
"F02110112"
],
"references": [
"RC03764",
"RC03765",
"RC03767",
"RC03769"
]
},
{
"compound_ID": "D1407",
"name": "Carnitine",
"synonyms": "beta-hydroxy-gamma-N-trimethylaminobutyric acid, 3-hydroxy-4-N,N,N-trimethylaminobutyrate",
"trade_name": "",
"abbrev_name": "",
"description": "quaternary ammonium compound involved in metabolism",
"molecular_formula": "C7H15NO3",
"molecular_weight": "161.2",
"state": "solid",
"clearance": "Total body clearance was found to be a mean of 4L/h.",
"volume_of_distribution": "The steady state volume of distribution (Vss) of an intravenously administered dose, above endogenous baseline levels, was calculated to be 29.0 +/- 7.1L. However this value is predicted to be an underestimate of the true Vss.",
"route_of_elimination": "Following a single intravenous dose, 73.1 +/- 16% of the dose was excreted in the urine during the 0-24 hour interval. \nPost administration of oral carnitine supplements, in addition to a high carnitine diet, 58-65% of the administered radioactive dose was recovered from urine and feces in 5-11 days. \n",
"protein_binding": "None",
"half_life": "17.4 hours (elimination) following a single intravenous dose.\n",
"absorption": "Absolute bioavailability is 15% (tablets or solution).\nTime to maximum plasma concentration was found to be 3.3 hours.",
"cid": "288",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A16AA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC03780"
]
},
{
"compound_ID": "D1408",
"name": "GW6471",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "antagonist of PPARalpha (IC50 = 240 nM)",
"molecular_formula": "C19H25NO3",
"molecular_weight": "315.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "24724489",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1409",
"name": "GSK3787",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "irreversible antagonist of PPARbeta/δ (pIC50 = 6.6)",
"molecular_formula": "C15H12ClF3N2O3S",
"molecular_weight": "392.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2800647",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1410",
"name": "GW9662",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "a selective PPAR antagonist for PPARgamma with IC50 of 3.3 nM in a cell-free assay",
"molecular_formula": "C13H9ClN2O3",
"molecular_weight": "276.67",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "644213",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1411",
"name": "Gentamicin",
"synonyms": "",
"trade_name": "Cidomycin, Genticyn, Garamycin",
"abbrev_name": "",
"description": "a complex of three different closely related aminoglycoside sulfates; broad-spectrum antibiotics",
"molecular_formula": "C21H43N5O7",
"molecular_weight": "477.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Low (between 0 and 30%)",
"half_life": "3-3½ hours in infants one week to six months of age; this increases to 5½ hours in full-term and large premature infants less than one week old.",
"absorption": "Injections lead to peak serum concentrations in 30-60 minutes. Topical gentamicin is readily absorbed from large burned, denuded, or granulating areas but not through intact skin. Absorption of gentamicin is faster and greater with the cream compared to the ointment. Gentamicin is absorbed in small quantities following topical application to the eye. Gentamicin is also absorbed in small amounts following topical application to the ear (especially if the eardrum is perforated or if tissue damage is present). Gentamicin is very poorly absorbed orally.",
"cid": "3467",
"classification": "S; J; D",
"indications": "",
"side_effects": "",
"atc_codes": "S02AA14; S01AA11; D06AX07; S03AA06; J01GB03",
"group": "Drug",
"drug_type": "",
"target": [
"T002",
"T003"
],
"function": [
"F01",
"F0109",
"F02010102",
"F02010106",
"F02010201",
"F021214",
"F050401"
],
"references": [
"RC03798",
"RC03983",
"RC03984",
"RC03985",
"RC03986",
"RC03987",
"RC03988",
"RC03989",
"RC03990",
"RC04001",
"RC04002",
"RC04003",
"RC04004",
"RC04005",
"RC04006",
"RC04007",
"RC04008",
"RC04009",
"RC04010"
]
},
{
"compound_ID": "D1412",
"name": "iodoacetate",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "derivative of acetic acid; alkylating agent; reacts with cysteine residues in proteins; thiol-reactive agents",
"molecular_formula": "C2H3IO2",
"molecular_weight": "185.95",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5240",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T072"
],
"function": [
"F020401"
],
"references": [
"RC03809"
]
},
{
"compound_ID": "D1413",
"name": "eperezolid",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "oxazolidinone antibiotic",
"molecular_formula": "C18H23FN4O5",
"molecular_weight": "394.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "73214",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T320"
],
"function": [
"F0604"
],
"references": [
"RC03828",
"RC03829"
]
},
{
"compound_ID": "D1414",
"name": "doxycycline",
"synonyms": "",
"trade_name": "Doryx, Doxyhexal, Doxylin",
"abbrev_name": "",
"description": "broad-spectrum antibiotic; second-generation tetracycline; derived from oxytetracycline",
"molecular_formula": "C22H24N2O8",
"molecular_weight": "444.4",
"state": "solid",
"clearance": "The excretion of doxycycline by the kidney is about 40% over 72 hours in individuals with normal kidney function (creatinine clearance approximately 75 mL/min). This rate may fall as low as 1-5% over 72 hours in individuals with severe renal insufficiency (creatinine clearance below 10 mL/min). Some clinical studies have shown no major difference in serum half-life of doxycycline (range 18-22 hours) in patients with normal and severely impaired renal function. Hemodialysis does not affect serum half-life of doxycycline [FDA label].\n",
"volume_of_distribution": "Doxycycline diffuses readily into most body tissues, fluid and/or cavities and the volume of distribution has been measured as 0.7 L/kg [F3052].",
"route_of_elimination": "Mainly the urine and feces as active and unchanged drug [FDA label]. Between 40% and 60% of an administered dose can be accounted for in the urine by 92 hours, and approximately 30% can be accounted for in the feces [F3055].",
"protein_binding": ">90% [FDA label], [F3055].",
"half_life": "16.33 hr (± 4.53 sd) [FDA label].",
"absorption": "Tetracyclines, such as doxycycline, are readily absorbed and are bound to plasma proteins by varying degrees. Doxycycline is almost completely absorbed after oral administration. This drug is highly lipid soluble and has a low affinity for calcium binding [FDA label]. Absorption is not significantly affected by the concomitant ingestion of food or milk [F3052]. Peak serum levels of approximately 2.6 mcg/ml are reached at 2 hours following a 200 mg tablet oral dose [F3052].",
"cid": "54671203",
"classification": "J; A",
"indications": "",
"side_effects": "",
"atc_codes": "J01AA20; A01AB22; J01AA02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F031001",
"F0604"
],
"references": [
"RC03877",
"RC03878"
]
},
{
"compound_ID": "D1415",
"name": "Xanthohumol",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "a PHB2(Prohibitin-2) ligand ; prenylated chalconoid; natural product found in the female inflorescences of Humulus lupulus( hops)",
"molecular_formula": "C21H22O5",
"molecular_weight": "354.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "639665",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T260"
],
"function": [
"F030801"
],
"references": [
"RC03875"
]
},
{
"compound_ID": "D1416",
"name": "MG-132",
"synonyms": "Z-Leu-Leu-Leu-al; MG132",
"trade_name": "",
"abbrev_name": "",
"description": "a potent proteasome inhibitor; calpain inhibitor with IC50s of 100 nM and 1.2 μM; blocks the proteolytic activity of the 26S proteasome complex; autophagy activator; induces apoptosis",
"molecular_formula": "C26H41N3O5",
"molecular_weight": "475.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "462382",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0201",
"F020403",
"F021001",
"F0221",
"F030603",
"F030801",
"F0504",
"F070104",
"F070105"
],
"references": [
"RC03885",
"RC03886",
"RC03887",
"RC03888",
"RC03891",
"RC03892",
"RC03893",
"RC03894",
"RC04940"
]
},
{
"compound_ID": "D1417",
"name": "tigecycline",
"synonyms": "",
"trade_name": "Tygacil",
"abbrev_name": "",
"description": "tetracycline antibiotic; glycylcycline;",
"molecular_formula": "C29H39N5O8",
"molecular_weight": "585.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "71% to 89%",
"half_life": "27-43 hours",
"absorption": "",
"cid": "5282044",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J01AA20; J01AA12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0604"
],
"references": [
"RC03883",
"RC03884"
]
},
{
"compound_ID": "D1418",
"name": "3-morpholinosydnonimine",
"synonyms": "SIN-1, Linsidomine",
"trade_name": "",
"abbrev_name": "SIN-1",
"description": "metabolite of molsidomine which decomposes spontaneously in solution in the presence of oxygen, releasing NO and superoxide anion; Since NO and superoxide react to form peroxynitrite, SIN-1 may actually produce peroxynitrite under physiological conditions.",
"molecular_formula": "C26H29Cl2N3",
"molecular_weight": "454.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "24278580",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0221",
"F0504"
],
"references": [
"RC03889",
"RC03890"
]
},
{
"compound_ID": "D1419",
"name": "Cinnamic anilides",
"synonyms": "trans-Cinnamic acid",
"trade_name": "",
"abbrev_name": "",
"description": "alpha,beta-unsaturated aromatic acid; flavoring agent",
"molecular_formula": "C30H37N9O2",
"molecular_weight": "555.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "24900956",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F010401"
],
"references": [
"RC03896"
]
},
{
"compound_ID": "D1420",
"name": "Hydrazine",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "a simple pnictogen hydride",
"molecular_formula": "H4N2",
"molecular_weight": "32.046",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9321",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F030604"
],
"references": [
"RC03897"
]
},
{
"compound_ID": "D1421",
"name": "Erythromycin",
"synonyms": "",
"trade_name": "Eryc, Erythrocin",
"abbrev_name": "",
"description": "antibiotic",
"molecular_formula": "C37H67NO13",
"molecular_weight": "733.9",
"state": "solid",
"clearance": "CL (l/h/kg) in healthy subjects: 0.53 ± 0.13 after a 125mg intravenous dose [A174457] .",
"volume_of_distribution": "Erythromycin readily diffuses into the majority of body fluids and is found to accumulate in leucocytes [A174448], [F3322]. Only low concentrations are usually reached in the spinal fluid, however the passage of erythromycin throughthe blood-brain barrier increases in meningitis, likely due to the presence of inflamed tissues [F3322].",
"route_of_elimination": "In patients with normal hepatic function, erythromycin is concentrated in the liver and excreted in the bile [F3322]. Less than 5% of the orally administered dose of erythromycin is excreted in active form in the urine [F3322]. \n\nA large proportion of the absorbed drug remains unaccounted for and is presumably metabolized, probably in the liver [F3322].",
"protein_binding": "93% serum protein binding (erythromycin propionate) [A174454].",
"half_life": "3.5 h [A174451] \n\nIn patients with liver disease, the half-life has been shown to be significantly increased, however, this is of little clinical significance [F3322].",
"absorption": "Orally administered erythromycin stearate is readily and reliably absorbed. Optimal serum levels of erythromycin are reached when it is taken in the fasting state or immediately before meals [F3322].\n\nErythromycin is well known for its highly variable bioavailability (18-45%) [A174451] after oral ingestion and its susceptibility to be degraded under acidic conditions [A174448].",
"cid": "12560",
"classification": "D; J; S",
"indications": "",
"side_effects": "",
"atc_codes": "J01FA01; D10AF52; S01AA17; D10AF02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030604"
],
"references": [
"RC03901"
]
},
{
"compound_ID": "D1422",
"name": "Diazepam",
"synonyms": "",
"trade_name": "Valium, Vazepam, Valtoco",
"abbrev_name": "",
"description": "benzodiazepine; produces a calming effect",
"molecular_formula": "C16H13ClN2O",
"molecular_weight": "284.74",
"state": "solid",
"clearance": "The clearance of diazepam is 20 to 30 mL/min in young adults [F3157, F3160].",
"volume_of_distribution": "In young healthy males, the volume of distribution at steady-state is 0.8 to 1.0 L/kg [F3157].",
"route_of_elimination": "Diazepam and its metabolites are excreted mainly in the urine, predominantly as their glucuronide conjugates [F3157, F3160, L5188].",
"protein_binding": "Despite high binding to plasma proteins (98-99%) - mainly albumin and to a lesser extent alpha1-acid glycoprotein - diazepam is widely distributed into tissues and crosses the blood-brain barrier and is highly lipid soluble, which causes the initial effects to decrease rapidly as it is redistributed into fat deposits and tissues [F3157, F3160, L5188].",
"half_life": "Diazepam has a biphasic half-life with an initial rapid distribution phase followed by a prolonged terminal elimination phase of 1 or 2 days; its action is further prolonged by the even longer half-life of 2-5 days of its principal active metabolite, desmethyldiazepam (nordiazepam), the relative proportion of which increases in the body on long-term administration [L5188]. The plasma half-life of diazepam is prolonged in neonates, in the elderly, and in patients with kidney or liver disease [L5188].",
"absorption": "After oral administration, it is considered that diazepam is rapidly and completely absorbed from the gastrointestinal tract as >90% of diazepam is absorbed and the average time to achieve peak plasma concentrations is 1 – 1.5 hours with a range of 0.25 to 2.5 hours [F3157, F3160, L5188].\n\nAbsorption is delayed and decreased when administered with a moderate fat meal [F3157]. In the presence of food mean lag times are approximately 45 minutes as compared with 15 minutes when fasting [F3157]. There is also an increase in the average time to achieve peak concentrations to about 2.5 hours in the presence of food as compared with 1.25 hours when fasting [F3157]. This results in an average decrease in Cmax of 20% in addition to a 27% decrease in AUC (range 15% to 50%) when administered with food [F3157].",
"cid": "3016",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N05BA01",
"group": "Drug",
"drug_type": "",
"target": [
"T019"
],
"function": [
"F020101",
"F021203",
"F030603"
],
"references": [
"RC03907",
"RC03908",
"RC03909",
"RC03910"
]
},
{
"compound_ID": "D1423",
"name": "Leflunomide",
"synonyms": "",
"trade_name": "Arava",
"abbrev_name": "",
"description": "immunosuppressive disease-modifying antirheumatic drug (DMARD); pyrimidine synthesis inhibitor by inhibiting dihydroorotate dehydrogenase",
"molecular_formula": "C12H9F3N2O2",
"molecular_weight": "270.21",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 0.13 L/kg",
"route_of_elimination": "The active metabolite is eliminated by further metabolism and subsequent renal excretion as well as by direct biliary excretion. In a 28 day study of drug elimination (n=3) using a single dose of radiolabeled compound, approximately 43% of the total radioactivity was eliminated in the urine and 48% was eliminated in the feces. It is not known whether leflunomide is excreted in human milk.\nMany drugs are excreted in human milk, and there is a potential for serious adverse reactions in nursing infants from leflunomide.",
"protein_binding": ">99.3%",
"half_life": "2 weeks",
"absorption": "Well absorbed, peak plasma concentrations appear 6-12 hours after dosing",
"cid": "3899",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L04AA13",
"group": "Drug",
"drug_type": "",
"target": [
"T004",
"T251"
],
"function": [
"F030803"
],
"references": [
"RC03912",
"RC03913"
]
},
{
"compound_ID": "D1424",
"name": "brequinar sodium",
"synonyms": "",
"trade_name": "",
"abbrev_name": "BRQ",
"description": "an inhibitor of DHODH activity that also binds to the ubiquinone binding site; blocking de novo pyrimidine biosynthesis",
"molecular_formula": "C23H14F2NNaO2",
"molecular_weight": "397.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "23663964",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T251"
],
"function": [
"F030501"
],
"references": [
"RC03914"
]
},
{
"compound_ID": "D1425",
"name": "BGP-15",
"synonyms": "N-[2-hydroxy-3-(1-piperidinyl)propoxy]-3-pyridinecarboximidamide, dihydrochloride",
"trade_name": "",
"abbrev_name": "",
"description": "hydroxylamine derivative; PARP inhibitor and insulin sensitizer; prevents insulin resistance in humans and protects against several oxidative stress-related diseases",
"molecular_formula": "C14H24Cl2N4O2",
"molecular_weight": "351.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9884807",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T363"
],
"function": [
"F030603",
"F030803"
],
"references": [
"RC03915",
"RC03916"
]
},
{
"compound_ID": "D1426",
"name": "amphotericin B",
"synonyms": "",
"trade_name": "",
"abbrev_name": "AMB",
"description": "antifungal",
"molecular_formula": "C47H73NO17",
"molecular_weight": "924.1",
"state": "solid",
"clearance": "* 39 +/- 22 mL/hr/kg [febrile neutropenic cancer and bone marrow transplant patients receiving infusion of 1 mg/kg/day at Day 1]\n* 17 +/- 6 mL/hr/kg [febrile neutropenic cancer and bone marrow transplant patients receiving infusion of 1 mg/kg/day 3-20 days later]\n* 51 +/- 44 mL/hr/kg [febrile neutropenic cancer and bone marrow transplant patients receiving infusion of 2.5 mg/kg/day at Day 1]\n* 22 +/- 15 mL/hr/kg [febrile neutropenic cancer and bone marrow transplant patients receiving infusion of 2.5 mg/kg/day 3-20 days later]\n* 21 +/- 14 mL/hr/kg [febrile neutropenic cancer and bone marrow transplant patients receiving infusion of 5 mg/kg/day at Day 1]\n* 11 +/- 6 mL/hr/kg [febrile neutropenic cancer and bone marrow transplant patients receiving infusion of 5 mg/kg/day 3-20 days later]",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Highly bound (>90%) to plasma proteins.",
"half_life": "An elimination half-life of approximately 15 days follows an initial plasma half-life of about 24 hours.",
"absorption": "Bioavailability is 100% for intravenous infusion.",
"cid": "5386092",
"classification": "G; J; A",
"indications": "",
"side_effects": "",
"atc_codes": "J02AA01; A01AB04; G01AA03; A07AA07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020603",
"F0504"
],
"references": [
"RC03959",
"RC03963",
"RC03967"
]
},
{
"compound_ID": "D1427",
"name": "caspofungin",
"synonyms": "",
"trade_name": "",
"abbrev_name": "Cas",
"description": "antifungal",
"molecular_formula": "C52H88N10O15",
"molecular_weight": "1093.3",
"state": "solid",
"clearance": "* 12 mL/min [After single IV administration]",
"volume_of_distribution": "",
"route_of_elimination": "After single intravenous administration of [3H] caspofungin acetate, excretion of caspofungin and its metabolites in humans was 35% of dose in feces and 41% of dose in urine.",
"protein_binding": "0.97",
"half_life": "9-11 hours",
"absorption": "92% tissue distribution within 36-48 hours after intravenous infusion",
"cid": "2826718",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J02AX04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020603",
"F0504"
],
"references": [
"RC03960",
"RC03964",
"RC03968"
]
},
{
"compound_ID": "D1429",
"name": "itraconazole",
"synonyms": "",
"trade_name": "",
"abbrev_name": "ITC",
"description": "antifungal",
"molecular_formula": "C35H38Cl2N8O4",
"molecular_weight": "705.6",
"state": "solid",
"clearance": "* 381 +/- 95 mL/minute [IV administration]",
"volume_of_distribution": "* 796 ± 185 L",
"route_of_elimination": "Itraconazole is metabolized predominately by the cytochrome P450 3A4 isoenzyme system (CYP3A4) in the liver, resulting in the formation of several metabolites, including hydroxyitraconazole, the major metabolite. Fecal excretion of the parent drug varies between 3-18% of the dose. Renal excretion of the parent drug is less than 0.03% of the dose. About 40% of the dose is excreted as inactive metabolites in the urine. No single excreted metabolite represents more than 5% of a dose.",
"protein_binding": "0.998",
"half_life": "21 hours",
"absorption": "The absolute oral bioavailability of itraconazole is 55%, and is maximal when taken with a full meal.",
"cid": "55283",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J02AC02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020603",
"F0504"
],
"references": [
"RC03962",
"RC03966",
"RC03970"
]
},
{
"compound_ID": "D1430",
"name": "XCT790",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "potent and selective inverse agonist ligand of the estrogen-related receptor alpha; potent mitochondrial electron transport chain; a specific inhibitor of ERRalpha-PGC-1 signaling pathway; inhibits mitochondrial biogenesis.",
"molecular_formula": "C23H13F9N4O3S",
"molecular_weight": "596.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6918788",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T419"
],
"function": [
"F030802"
],
"references": [
"RC03974"
]
},
{
"compound_ID": "D1431",
"name": "Dynasore",
"synonyms": "3-Hydroxy-naphthalene-2-carboxylic acid (3,4-dihydroxy-benzylidene)-hydrazide hydrate",
"trade_name": "",
"abbrev_name": "",
"description": "cell-permeable inhibitor of dynamin; a small molecule GTPase inhibitor that targets dynamin-1, dynamin-2 and Drp1 (mitochondrial); mito-fission inhibitor",
"molecular_formula": "C18H14N2O4",
"molecular_weight": "322.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "135533054",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D1432",
"name": "MCU-i4",
"synonyms": "3-Quinolinecarboxylic acid, 4-[[4-(diethylamino)phenyl]amino]-6-methyl-, ethyl ester; Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate",
"trade_name": "",
"abbrev_name": "",
"description": "Novel negative modulator of the MCU, binding MICU1",
"molecular_formula": "C23H27N3O2",
"molecular_weight": "377.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1568449",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T432"
],
"function": [
"F01",
"F02110301"
],
"references": [
"RC03941",
"RC03943",
"RC03945",
"RC03947",
"RC03949"
]
},
{
"compound_ID": "D1433",
"name": "MCU-i11",
"synonyms": "Pyrido[4’,3′:4,5]thieno[2,3-d]pyrimidine-1(2H)-acetamide, 7-acetyl-N-(4-ethoxyphenyl)-3,4,5,6,7,8-hexahydro-2,4-dioxo-3-(phenylmethyl)- ; 2-(7-Acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-ethoxyphenyl)acetamide",
"trade_name": "",
"abbrev_name": "",
"description": "Novel negative modulator of the MCU, binding MICU1",
"molecular_formula": "C28H28N4O5S",
"molecular_weight": "532.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16010455",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T432"
],
"function": [
"F01",
"F02110301"
],
"references": [
"RC03942",
"RC03944",
"RC03946",
"RC03948",
"RC03950"
]
}
]
}
