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 3.4
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
X-396 has favourable pharmacokinetic and toxicity profiles and displays potent antitumour activity in vivo [2].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ALK receptor tyrosine kinase Hs 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 Hs Inhibitor Inhibition 9.1 pIC50 - 2
pIC50 9.1 (IC50 7.4x10-10 M) [2]
Description: Result from DiscoveRx KINOMEscan® selectivity screen.