imatinib

Ligand id: 5687

Name: imatinib

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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 86.28
Molecular weight 493.26
XLogP 4.27
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
Off-targets include PDGFRA, PDGFRB and KIT.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Inhibitor Inhibition 6.7 pIC50 - 4
pIC50 6.7 (IC50 2.2x10-7 M) [4]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
discoidin domain receptor tyrosine kinase 1 Inhibitor Inhibition 6.5 pIC50 - 5
pIC50 6.5 (IC50 3.37x10-7 M) [5]
discoidin domain receptor tyrosine kinase 2 Inhibitor Inhibition 6.2 pIC50 - 5
pIC50 6.2 (IC50 6.75x10-7 M) [5]
Ligand mentioned in the following text fields