compound 2 [PMID: 22560567]

Ligand id: 8115

Name: compound 2 [PMID: 22560567]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 61.36
Molecular weight 279.11
XLogP 4.36
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
cell division cycle 7 Inhibitor Inhibition 8.9 pIC50 - 2
pIC50 8.9 (IC50 1.4x10-9 M) [2]
glycogen synthase kinase 3 beta Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.72x10-8 M) [1]
Casein kinase 2 Inhibitor Inhibition 7.6 – 7.7 pIC50 - 1-2
pIC50 7.6 – 7.7 (IC50 2.7x10-8 – 1.9x10-8 M) [1-2]
CDC like kinase 1 Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 2.1x10-7 M) [1]
Pim-1 proto-oncogene, serine/threonine kinase Inhibitor Inhibition 6.5 pIC50 - 2
pIC50 6.5 (IC50 3.32x10-7 M) [2]