alectinib

Ligand id: 7739

Name: alectinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 72.36
Molecular weight 482.27
XLogP 4.08
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
Alecitinib has potent anti-tumour effects in crizotinib resistant cells, in in vivo xenograft models [3].
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 8.7 pIC50 - 2
pIC50 8.7 (IC50 1.9x10-9 M) [2]
MET proto-oncogene, receptor tyrosine kinase Inhibitor Inhibition <5.3 pIC50 - 2
pIC50 <5.3 (IC50 >5x10-6 M) [2]