ceritinib

Ligand id: 7397

Name: ceritinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 113.62
Molecular weight 557.22
XLogP 6.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
testis specific serine kinase 1B Inhibitor Inhibition 7.6 pIC50 - 2
pIC50 7.6 (IC50 2.3x10-8 M) [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 9.7 pIC50 - 2
pIC50 9.7 (IC50 2x10-10 M) [2]
Insulin receptor Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 7x10-9 M) [2]
Insulin-like growth factor I receptor Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 8x10-9 M) [2]
fms related tyrosine kinase 3 Inhibitor Inhibition 7.2 pIC50 - 2
pIC50 7.2 (IC50 6x10-8 M) [2]