Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02STN
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| Former ID |
DNC003575
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| Drug Name |
ABIRATERONE
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| Synonyms |
Abiraterone (AR inhibitor)
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| Drug Type |
Small molecular drug
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| Indication | Prostate cancer [ICD-11: 2C82.0] | Approved | [1], [2], [3] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C24H31NO
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| Canonical SMILES |
CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O
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| InChI |
1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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| InChIKey |
GZOSMCIZMLWJML-VJLLXTKPSA-N
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| CAS Number |
CAS 154229-19-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
10243249, 14925329, 29310988, 51070382, 56412748, 57344329, 85160750, 99436993, 103559525, 104378672, 109693725, 118842183, 124757018, 125092124, 125163822, 126647604, 126666776, 126731192, 128029089, 131408327, 134340780, 135089190, 136340288, 137172988, 137213544, 143493380, 152236442, 152258876, 152344306, 160645799, 160647725, 160826036, 162011587, 162037451, 162201747, 163092693, 163388487, 164045167, 164194062, 164831353, 165245562, 170507595, 172912741, 174527616, 175268637, 175427038, 175437823, 176484827, 178103356, 179692447
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| ChEBI ID |
CHEBI:68642
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| ADReCS Drug ID | BADD_D00014 | |||
| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Steroid 17-alpha-monooxygenase (S17AH) | Target Info | Modulator | [2], [3] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Glucocorticoid biosynthesis | ||||
| Androgen biosynthesis | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| Prolactin signaling pathway | ||||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Steroidogenesis | ||||
| Reactome | Androgen biosynthesis | |||
| Glucocorticoid biosynthesis | ||||
| Endogenous sterols | ||||
| WikiPathways | Metapathway biotransformation | |||
| Steroid Biosynthesis | ||||
| Oxidation by Cytochrome P450 | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| Glucocorticoid & Mineralcorticoid Metabolism | ||||
| Prostate Cancer | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6745). | |||
| REF 2 | 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4. | |||
| REF 3 | Selective blockade of androgenic steroid synthesis by novel lyase inhibitors as a therapeutic strategy for treating metastatic prostate cancer. BJU Int. 2005 Dec;96(9):1241-6. | |||
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