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
SMILES / InChI / InChIKey
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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)
InChI Key YAMAGACQNDAKFB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3-bromophenyl)-3-methyl-3H-imidazo[4,5-g]quinazolin-8-amine
Database Links Click here for help
CAS Registry No. 174709-30-9
ChEMBL Ligand CHEMBL174426
GtoPdb PubChem SID 178102562
PubChem CID 2427
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