General
Preferred name
BISPHENOL A
Synonyms
bisphenol-a ()
BISPHENOL A 99+% (4,4-ISOPROPYLIDENEDIPHENOL) ()
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol ()
P&D ID
PD000636
CAS
137885-53-1
27100-33-0
80-05-7
Tags
available
drug candidate
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 is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cancers, cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[1][2][3][4][5][6][7][8][9].
PRICE 29
DESCRIPTION Bisphenol A is an endogenous metabolic compound of phenols and is widely used in the production of epoxy resins and polycarbonate plastics. It is reproductive, developmental and systemic toxicant and is often classified as an endocrine disruptor. It has been linked to many diseases, including respiratory disease, cardiovascular disease, diabetes, kidney disease, obesity and reproductive disorders.
DESCRIPTION Bisphenol A acts as an estrogen mimic and may also have anti-androgenic activity . (GtoPdb)
DESCRIPTION Toxicant. Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders. (Enamine Bioactive Compounds)
DESCRIPTION Binding affinity to human ERR gamma; PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory) (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
14
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB06973
DrugMAP
DM2ZLD7
DrugMatrix
Enamine Bioactive Compounds
EBC-03697
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
R035-0072
The Spectrum Collection
External IDs
44
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
Akt
Apoptosis
Endogenous Metabolite
p38 MAPK
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
MOA
synthetic estrogen
Pathway
Immunology/Inflammation
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
PI3K/Akt/mTOR
NF-¦ÊB
Source data