abiraterone acetate

Ligand id: 9288

Name: abiraterone acetate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 39.19
Molecular weight 391.25
XLogP 6.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA, 2011)
Is prodrug? Yes
Active form abiraterone
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-yl] acetate
Synonyms
Zytiga
Database Links
CAS Registry No. 154229-18-2 (source: PubChem)
ChEMBL Ligand CHEMBL271227
PubChem CID 9821849
Search Google for chemical match using the InChIKey UVIQSJCZCSLXRZ-UBUQANBQSA-N
Search Google for chemicals with the same backbone UVIQSJCZCSLXRZ
Search UniChem for chemical match using the InChIKey UVIQSJCZCSLXRZ-UBUQANBQSA-N
Search UniChem for chemicals with the same backbone UVIQSJCZCSLXRZ
Wikipedia Abiraterone_acetate
Comments
Abiraterone acetate is an ester prodrug of the steroidal drug abiraterone, which acts as an androgen synthesis inhibitor by inhibiting steroid 17alpha-monooxygenase.