abiraterone

Ligand id: 6745

Name: abiraterone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 33.12
Molecular weight 349.24
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug abiraterone acetate
IUPAC Name
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
International Nonproprietary Names
INN number INN
7375 abiraterone
Database Links
CAS Registry No. 154229-19-3 (source: Scifinder)
ChEBI CHEBI:68642
ChEMBL Ligand CHEMBL254328
DrugBank Ligand DB05812
PubChem CID 132971
RCSB PDB Ligand AER&sid=3RUK
Search Google for chemical match using the InChIKey GZOSMCIZMLWJML-VJLLXTKPSA-N
Search Google for chemicals with the same backbone GZOSMCIZMLWJML
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Comments
Abiraterone is the active from of the abiraterone acetate prodrug.