General
Preferred name
biochanin A
Synonyms
ICX5609037 ()
Olmelin ()
4-methylgenistein ()
NSC-123538 ()
BIOCHANIN ()
P&D ID
PD001613
CAS
491-80-5
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
2
Organisms
4
Compound Sets
13
AdooQ Bioactive Compound Library
A10146
Cayman Chemical Bioactives
16476
Drug Repurposing Hub
DrugBank
DB15334
DrugMAP
DM0HPWY
DrugMatrix
Guide to Pharmacology
2829
MedChem Express Bioactive Compound Library
HY-14595
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
Biochanin-A(4-Methylgenistein)
TargetMol Bioactive Compound Library
T2859
The Spectrum Collection
ZINC Tool Compounds
ZINC000018847037
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
284.07
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.88
TPSA
79.9
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Metabolism
Neuroscience
JAK/STAT Signaling
Tyrosine Kinase/Adaptors
Autophagy
Metabolic Enzyme/Protease
Neuronal Signaling
Target
EGFR
FAAH (human)
FAAH (mouse)
FAAH (rat)
CYP19A1, ESRRA, ESRRB, ESRRG, FASN
Endogenous Metabolite
FAAH
Member status
virtual
MOA
Androgen Receptor Antagonists
Steroid 5alpha-Reductase Inhibitors
PPARalpha Agonists
PPARgamma Agonists
protein tyrosine kinase inhibitor
Source data