Drug Details

General Information of the Drug (ID: DR0403)
Name
Abiraterone
Synonyms
Abiraterone 154229-19-3 CB 7598 CB-7598 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol
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Molecular Type
Small molecule
Disease Prostate cancer [ICD-11: 2C82] Approved
Structure
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2D MOL

3D MOL

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Formula
C24H31NO
PubChem CID
132971
Canonical SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O
InChI
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
InChIKey
GZOSMCIZMLWJML-VJLLXTKPSA-N
CAS Number
154229-19-3
ChEBI ID
CHEBI:68642
TTD Drug ID
D02STN
DrugBank ID
DB05812
Target and Pathway
Target(s) Serine/threonine PP1-alpha (PPP1CA)  Molecule Info 
Serine/threonine PP1-alpha (PPP1CA)  Molecule Info