osimertinib

Ligand id: 7719

Name: osimertinib

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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 11
Topological polar surface area 87.55
Molecular weight 499.27
XLogP 3.44
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!)

Bioactivity Comments
Whilst AZD9291 has high in vitro affinity for mutant EGFRs, affinity for the wild type receptor is much lower (~ 490nM) [5]. In vitro IC50s for mutant EGFRs are reported as 1-15nM for the double L858R/T790M mutant, 17nM for the exon 19 deletion sensitising mutant, and 6nM for the dual exon 19 deletion/T790M mutant [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
epidermal growth factor receptor Inhibitor Inhibition 6.3 pIC50 - 5
pIC50 6.3 (IC50 4.94x10-7 M) [5]