axitinib

Ligand id: 5659

Name: axitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 95.97
Molecular weight 386.12
XLogP 5.77
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
polo like kinase 4 Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 4.6x10-8 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
kinase insert domain receptor Inhibitor Inhibition 8.2 pKd - 1
pKd 8.2 (Kd 5.9x10-9 M) [1]
kinase insert domain receptor Inhibitor Inhibition 9.6 pIC50 - 3
pIC50 9.6 (IC50 2.5x10-10 M) [3]