ensartinib

Ligand id: 8959

Name: ensartinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 113.68
Molecular weight 546.13
XLogP 3.41
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
X-396 has favourable pharmacokinetic and toxicity profiles and displays potent antitumour activity in vivo [2].
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 >9.4 pIC50 - 2
pIC50 >9.4 (IC50 <4x10-10 M) [2]
Description: Result from DiscoveRx KINOMEscan® selectivity screen.
MET proto-oncogene, receptor tyrosine kinase Inhibitor Inhibition 9.1 pIC50 - 2
pIC50 9.1 (IC50 7.4x10-10 M) [2]
Description: Result from DiscoveRx KINOMEscan® selectivity screen.