General
Preferred name
PRUNETIN
Synonyms
Prunusetin ()
P&D ID
PD047330
CAS
552-59-0
Tags
available
drug candidate
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 An aldehyde dehydrogenase inhibitor (GtoPdb)
Cell lines
0
Organisms
1
Compound Sets
6
Cayman Chemical Bioactives
29432
DrugMAP
DMPD41Q
EU-OPENSCREEN Bioactive Compound Library
EOS102381
Guide to Pharmacology
6919
MedChem Express Bioactive Compound Library
HY-N2597
TargetMol Bioactive Compound Library
T4S0878
External IDs
30
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
NF-??b
MAPK
NF-¦ªb
Metabolic Enzyme/Protease
Target
NF-??B
ERK
NF-¦ÊB
Aldehyde dehydrogenase (ALDH)
Source data