Ligand id: 7741

Name: brigatinib

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: brigatinib

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 GtoPdb and ChEMBL (where available) across species

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 catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ALK receptor tyrosine kinase Hs Inhibitor Inhibition 10.1 pKi - 2
pKi 10.1 (Ki 9x10-11 M) [2]
Description: Wild type ALK
ALK receptor tyrosine kinase Hs 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 Hs Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.46x10-8 M) [1]
epidermal growth factor receptor Hs Inhibitor Inhibition 6.9 pIC50 - 2
pIC50 6.9 (IC50 1.29x10-7 M) [2]
Insulin receptor Hs Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.96x10-7 M) [1]