Brief Information of the Compound and Protein
Compound Name
3-[[2-(3-cyanoanilino)-6,7-dimethoxyquinazolin-4-yl]amino]benzonitrile
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PubChem ID
CID: 72735581
Canonical SMILES
COc1cc2nc(Nc3cccc(c3)C#N)nc(Nc3cccc(c3)C#N)c2cc1OC
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Compound Formula C24H18N6O2
Compound Structure
Protein Name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein Classification
Transporter
>
Primary active transporter
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ATP-binding cassette
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ABCG subfamily
Uniprot ID
Q9UNQ0
Gene Name
ABCG2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  2
1
IC50 = 470 nM
   TI
   LI
   LO
   TS
2
IC50 = 480 nM
   TI
   LI
   LO
   TS