canertinib

Ligand id: 5675

Name: canertinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 88.61
Molecular weight 485.16
XLogP 3.04
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
Canertinib is effective against a variety of human tumours in vitro [3] and in mouse xenograft models [4] in preclinical studies.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
epidermal growth factor receptor Inhibitor Inhibition 9.7 pKd - 2
pKd 9.7 (Kd 1.9x10-10 M) [2]
epidermal growth factor receptor Inhibitor Inhibition 8.8 pIC50 - 4
pIC50 8.8 (IC50 1.5x10-9 M) [4]
Description: Inhibition of kinase activity
erb-b2 receptor tyrosine kinase 2 Inhibitor Inhibition 8.1 pIC50 - 4
pIC50 8.1 (IC50 9x10-9 M) [4]
Description: Inhibition of ErbB2 autophosphorylation