compound 56 [PMID: 8568816]

Ligand id: 5956

Name: compound 56 [PMID: 8568816]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 56.27
Molecular weight 387.06
XLogP 4.23
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 11.2 pIC50 - 2
pIC50 11.2 (IC50 6x10-12 M) [2]