General
Preferred name
COUMESTROL
Synonyms
ICX5609034 ()
P&D ID
PD011436
CAS
479-13-0
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
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 Coumestrol is a natural compound that is found in the plants Campylotropis hirtella and Melilotus messanensis. (GtoPdb)
Cell lines
1
Organisms
1
Compound Sets
11
Cayman Chemical Bioactives
11730
Concise Guide to Pharmacology 2023/24
12437
DrugMAP
DM40TBU
DrugMatrix
Guide to Pharmacology
12437
MedChem Express Bioactive Compound Library
HY-N2335
NIH Mechanistic Set
Novartis Chemogenetic Library (NIBR MoA Box)
NURSA ligand set
nursa/index.jsf?doi=10.1621%2F5IV15H9OTM
ReFrame library
TargetMol Bioactive Compound Library
TQ0295
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
268.04
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
4
cLogP
3.1
TPSA
83.81
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Vitamin D Related/Nuclear Receptor
Target
Estrogen Receptor/ERR
Member status
member
MOA
Estrogen Receptor (ER) alpha Ligands
Estrogen Receptor (ER) beta Ligands
AGE Inhibitors (Maillard's Reaction Inhibitors)
Source data