General
Preferred name
PUERARIN
Synonyms
kakonein ()
NPI 031G ()
NSC-380711 ()
Puerarin 80 mm ()
Daidzein 8-c-glucoside ()
P&D ID
PD019429
CAS
3681-99-0
Tags
natural product
drug candidate
available
Drug indication
Alcohol dependence
Drug Status
investigational
Max Phase
2.0
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
Puerarin is a plant-derived hydroxyisoflavone compound.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugMAP
Enamine BioReference Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
416.11
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
6
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
0.39
TPSA
160.82
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Target
5-HT
MOA
5-HT Receptor
serotonin receptor antagonist
Source data
