BPIQ-I   Click here for help

GtoPdb Ligand ID: 5939

Compound class: Synthetic organic
Comment: BPIQ-I is a cell-permeable, reversible, ATP-competitive, potent and specific inhibitor of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR) [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 55.63
Molecular weight 353.03
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C
Isomeric SMILES Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C
InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
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 Primary target of this compound Hs Inhibitor Inhibition 10.6 pIC50 - 3
pIC50 10.6 (IC50 2.5x10-11 M) [3]