brigatinib

Ligand id: 7741

Name: brigatinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 92.43
Molecular weight 528.22
XLogP 4.72
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
Brigatinib exhibits low nM IC50s against wild-type ALK and clinically relevant ALK mutants in enzyme-based biochemical and cell viability assays [1]. Brigatinib is highly active against crizotinib resistant cancer cells in vitro and in vivo [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 10.1 pKi - 2
pKi 10.1 (Ki 9x10-11 M) [2]
Description: Wild type ALK
ALK receptor tyrosine kinase Inhibitor Inhibition 9.2 – 9.4 pIC50 - 1-2
pIC50 9.2 – 9.4 (IC50 6.2x10-10 – 3.7x10-10 M) [1-2]
Insulin-like growth factor I receptor Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.46x10-8 M) [1]
epidermal growth factor receptor Inhibitor Inhibition 6.9 pIC50 - 2
pIC50 6.9 (IC50 1.29x10-7 M) [2]
Insulin receptor Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.96x10-7 M) [1]