Brief Information of the Compound and Protein
Compound Name
2-fluoro-5-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
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Canonical SMILES
Cc1cc(Nc2ccc(F)c(c2)C#N)nc(n1)-c1ccccc1
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Compound Formula C18H13FN4
Compound Structure
Protein Name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein Classification
Transporter
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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)  3
1
EC50 = 20.9 nM
   TI
   LI
   LO
   TS
2
IC50 = 86.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 307 nM
   TI
   LI
   LO
   TS