Ligand id: 7719

Name: osimertinib

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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 11
Topological polar surface area 87.55
Molecular weight 499.27
XLogP 3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
Whilst AZD9291 has high in vitro affinity for mutant EGFRs, affinity for the wild type receptor is much lower (~ 490nM) [6]. 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 catalytic receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
epidermal growth factor receptor Hs Inhibitor Inhibition 6.3 pIC50 - 6
pIC50 6.3 (IC50 4.94x10-7 M) [6]