Ligand id: 9196

Name: olmutinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 110.86
Molecular weight 486.18
XLogP 4.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
No technical papers have yet appeared (Nov 2016) but the Hanmi patent [1] includes binned IC50 data for 150 analogues. Olmutinib is recorded as having <50nM for inhibition of EGFR with L858R/T790M mutation, two other mutations and 100-1000nM for wild type EGFR . In these biochemical assays olmutinib was more selective for the mutant EGFR than erlotinib. Inhibition data for cancer cell lines is also provided, with GI50 values of <50nM vs. cells with DelE746_A750 or L858R/T790M EGFR mutations, and >1000nM for cells with wild type EGFR.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
epidermal growth factor receptor Hs Inhibitor Inhibition 6.0 – 7.0 pIC50 - 1
pIC50 6.0 – 7.0 (IC50 1x10-6 – 1x10-7 M) [1]
Description: Biochemical assay