General
Preferred name
BISPHENOL A
Synonyms
bisphenol-a ()
BISPHENOL A 99+% (4,4-ISOPROPYLIDENEDIPHENOL) ()
P&D ID
PD000636
CAS
137885-53-1
27100-33-0
80-05-7
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
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 Bisphenol A acts as an estrogen mimic and may also have anti-androgenic activity . (GtoPdb)
Compound Sets
12
Drug Repurposing Hub
DrugBank
DB06973
DrugMAP
DM2ZLD7
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS102108
Guide to Pharmacology
7865
MedChem Express Bioactive Compound Library
HY-18260
ReFrame library
Selleckchem Bioactive Compound Library
bisphenol-a
TargetMol Bioactive Compound Library
T5623
The Spectrum Collection
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
228.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
3.42
TPSA
40.46
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
AR, ESR1, ESR2, ESRRG, PPARG
Endogenous Metabolite
MOA
synthetic estrogen
Pathway
Metabolic Enzyme/Protease
Source data