compound 15 [PMID: 24900237]

Ligand id: 8220

Name: compound 15 [PMID: 24900237]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 122.47
Molecular weight 496.2
XLogP 1.96
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!)

Bioactivity Comments
Compound 15 is >40-fold selective for ALK compared to the structurally related insulin receptor [1].
In a selectivity profile kinase screen compound 15 inhibited wild type kinases FER, LTK, PLK4, PYK2, TNK1 and TTK and mutants KITD816V and FLT3D835Y by ≥90% (at 0.1μM) [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
unc-51 like kinase 3 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 1μM compound.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ALK receptor tyrosine kinase Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.4x10-8 M) [1]
Insulin receptor Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 5.97x10-7 M) [1]