CEP-37440

Ligand id: 9698

Name: CEP-37440

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 114.88
Molecular weight 579.27
XLogP 3.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
CEP-37440 inhibits ALK-driven cell proliferation with an IC50 of 22nM, and FAK-driven cells with an IC50 of 82nM [2].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
protein tyrosine kinase 2 Hs Inhibitor Inhibition 8.7 pIC50 - 2
pIC50 8.7 (IC50 2x10-9 M) [2]
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
ALK receptor tyrosine kinase Hs Inhibitor Inhibition 8.5 pIC50 - 2
pIC50 8.5 (IC50 3.1x10-9 M) [2]