General
Preferred name
ABIRATERONE ACETATE
Synonyms
CB7630 ()
Zytiga ()
Abiraterone Acetate (CB7630) ()
CB7630, CB-7630 ()
Yonsa ()
CB-7630 ()
NSC-749227 ()
NSC-748121 ()
Abiraterone Acetate-d4 ()
P&D ID
PD012199
CAS
154229-18-2
2122245-63-8
Tags
prodrug
natural product
drug
available
Approved by
EMA
FDA
First approval
2011
Drug indication
Prostate cancer
Drug Status
approved
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Abiraterone acetate is an ester prodrug of the steroidal drug abiraterone, which acts as an androgen synthesis inhibitor by inhibiting steroid 17alpha-monooxygenase. (GtoPdb)
DESCRIPTION AAK1 and BMP2K inhibitor; activates Wnt signaling (Tocris Bioactive Compound Library)
Cell lines
3
Organisms
0
Compound Sets
19
AdooQ Bioactive Compound Library
A11058
Axon Medchem Screening Library
1874
Cayman Chemical Bioactives
15148
22096
ChEMBL Approved Drugs
CHEMBL271227
ChEMBL Drugs
CHEMBL271227
Drug Repurposing Hub
DrugCentral
4176
DrugCentral Approved Drugs
4176
DrugMAP
DMANBZI
DrugMAP Approved Drugs
DMANBZI
EU-OPENSCREEN Bioactive Compound Library
EOS101365
Guide to Pharmacology
9288
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL271227
MedChem Express Bioactive Compound Library
HY-75054
Natural product-based probes and drugs
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
Abiraterone-Acetate-CB7630
TargetMol Bioactive Compound Library
T6215
Tocris Bioactive Compound Library
6520
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
391.25
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
1
cLogP
5.97
TPSA
39.19
Fraction CSP3
0.62
Chiral centers
6.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
CYP17
CYP17A1
CYP17A1 inhibitor
Androgen Receptor,P450 (e.g. CYP17)
Primary Target
Cytochrome P450
MOA
P450 inhibitor
Inhibitor
Androgen Biosynthesis Inhibitors
Cytochrome P450 CYP17 (17alpha-Hydroxylase/C17-20 Lyase) Inhibitors
androgen biosynthesis inhibitor
Member status
member
Indication
prostate cancer
Biosynthetic Origin
Terpenoid (Steroid)
Therapeutic Indication
Anticancer
Therapeutic Class
Anticancer Agents
Source data