General
Preferred name
PD150612
Synonyms
3-O-METHYLQUERCETIN ()
3-O-methyl Quercetin ()
P&D ID
PD150612
CAS
1486-70-0
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 3-O-Methylquercetin is an inhibitor of cAMP and CGMP-phosphodiesterase (PDE) with IC50 at 13.8 ¦ÌM and 14.3 ¦ÌM, respectively. 3-O-Methylquercetin is an inhibitor of ¦Â-secretase with an IC50 of 6.5 ¦ÌM. 3-O-Methylquercetin has a neuroprotective effect against neuronal death caused by oxidative damage. 3-O-Methylquercetin has strong antiviral activity against poliovirus, coxsackie virus and human rhinovirus. 3-O-Methylquercetin has anti-inflammatory and trachea-relaxing effects and can be used in the study of inflammatory diseases and asthma[1][2][3][4][5][6].
PRICE 224
DESCRIPTION 3-O-Methylquercetin is a selective and competitive PDE3/PDE4 inhibitor, and inhibits PDE3 than PDE4 with a low Km value. 3-O-Methylquercetin inhibits total cAMP- and cGMP-phosphodiesterase (PDE) of guinea pig trachealis at low concentrations. (TargetMol Bioactive Compound Library)
Cell lines
7
Organisms
2
Compound Sets
4
Cayman Chemical Bioactives
29333
DrugMAP
DMVIZ1S
MedChem Express Bioactive Compound Library
HY-N1860
TargetMol Bioactive Compound Library
TN1266
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
316.06
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.29
TPSA
120.36
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
cAMP
PDE3
PDE4
IL Receptor
NO Synthase
Phosphodiesterase (PDE)
Pathway
GPCR/G protein
Immunology/Inflammation
Metabolism
Metabolic Enzyme/Protease
Source data