compound 52 [PMID: 9677190]

Ligand id: 5955

Name: compound 52 [PMID: 9677190]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 87.89
Molecular weight 346.13
XLogP 2.42
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 7.5 pIC50 - 2
pIC50 7.5 (IC50 3x10-8 M) [2]
cyclin dependent kinase 1 Inhibitor Inhibition 6.5 pIC50 - 4
pIC50 6.5 (IC50 3.4x10-7 M) [4]
Description: CDK1/cyclin B complex