abiraterone acetate

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Ligands
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

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

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
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.

Comments

Abiraterone acetate is an ester prodrug of the steroidal drug abiraterone, which acts as an androgen synthesis inhibitor by inhibiting steroid 17alpha-monooxygenase.