Brief Information of the Compound and Protein
Compound Name
4-[[6-(4-cyanoanilino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
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PubChem ID
CID: 112881727
Canonical SMILES
N#Cc1ccc(Nc2cc(Nc3ccc(cc3)C#N)nc(n2)-c2ccccc2)cc1
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Compound Formula C24H16N6
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)  5
1
EC50 = 231 nM
   TI
   LI
   LO
   TS
2
GI50 = 563 nM
   TI
   LI
   LO
   TS
3
GI50 = 4080 nM
   TI
   LI
   LO
   TS
4
GI50 = 5120 nM
   TI
   LI
   LO
   TS
5
IC50 = 133 nM
   TI
   LI
   LO
   TS