dacomitinib

Ligand id: 7422

Name: dacomitinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 79.38
Molecular weight 469.17
XLogP 3.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
erb-b2 receptor tyrosine kinase 2 Hs Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 4.6x10-8 M) [1]
erb-b2 receptor tyrosine kinase 4 Hs Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.4x10-8 M) [1]