General
Preferred name
purvalanol A
Synonyms
NG-60 ()
P&D ID
PD041913
CAS
212844-53-6
Tags
available
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)
PRICE
39
DESCRIPTION
Purvalanol A is a cyclin-dependent kinase (CDK) inhibitor .
(GtoPdb)
DESCRIPTION
Purvalanol A (NG-60) is an effective and cell-permeable CDK inhibitor with IC50 of 70/4/35/850 nM for cdk2-cyclin A/B/E, and cdk4-cyclin D1, respectively.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
388.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
3
cLogP
4.23
TPSA
87.89
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Autophagy
Cell Cycle/Checkpoint
Target
Cdc2/CyclinB
CDK
CDK2/CyclinA
CDK2/CyclinE
CDK4/CyclinD1
Source data
