General
Preferred name
ABIRATERONE
Synonyms
CB-7598 ()
Abiraterone (CB-7598) ()
17-(3-Pyridyl)androsta-5,16-dien-3.beta.-ol ()
Pharmaprojects No. 4598 ()
Zytiga ()
CB 7598 ()
NSC-741232 ()
P&D ID
PD003444
CAS
154229-19-3
Tags
natural product
drug
available
Drug Status
approved
Drug indication
Prostate cancer
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Abiraterone is the active from of the abiraterone acetate prodrug.
(GtoPdb)
DESCRIPTION
inhibitor of 17 alpha-hydroxylase and C17,20 lyase
(Informer Set)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
13
Organisms
0
Compound Sets
25
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Informer Set
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
ReFrame library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
349.24
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
1
cLogP
5.4
TPSA
33.12
Fraction CSP3
0.62
Chiral centers
6.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CYP17A1
CYP17
CYP11B1, CYP17A1
CYP17A1 inhibitor
Cytochrome P450
Compound status
FDA
Pathway
Metabolism
Metabolic Enzyme/Protease
MOA
P450 inhibitor
androgen biosynthesis inhibitor
Indication
prostate cancer
Source data
