Cdk1/2 inhibitor III

Ligand id: 5946

Name: Cdk1/2 inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 153.95
Molecular weight 425.05
XLogP 1.97
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
cyclin dependent kinase 2 Inhibitor Inhibition 9.3 pIC50 - 3
pIC50 9.3 (IC50 5x10-10 M) [3]
Description: CDK2/cyclin A complex
cyclin dependent kinase 1 Inhibitor Inhibition 9.2 pIC50 - 3
pIC50 9.2 (IC50 6x10-10 M) [3]
Description: CDK1/cyclin B complex
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
fms related tyrosine kinase 1 Inhibitor Inhibition 7.5 pIC50 - 3
pIC50 7.5 (IC50 3.2x10-8 M) [3]