Ligand id: 8018

Name: 1-azakenpaullone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 57.78
Molecular weight 327
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at Human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
glycogen synthase kinase 3 beta Inhibitor Inhibition 7.7 pIC50 - 4
pIC50 7.7 (IC50 1.8x10-8 M) [4]
cyclin dependent kinase 1 Inhibitor Inhibition 5.7 pIC50 - 4
pIC50 5.7 (IC50 2x10-6 M) [4]
Description: CDK1/cyclin B complex in assay
cyclin dependent kinase 5 Inhibitor Inhibition 5.4 pIC50 - 4
pIC50 5.4 (IC50 4.2x10-6 M) [4]
Description: CDK5/p25 complex in assay