Brief Information of the Compound and Protein
Compound Name
4-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
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Canonical SMILES
CNc1cc(Nc2ccc(cc2)C#N)nc(n1)-c1ccccc1
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Compound Formula C18H15N5
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 = 21.7 nM
   TI
   LI
   LO
   TS
2
GI50 = 407 nM
   TI
   LI
   LO
   TS
3
GI50 = 917 nM
   TI
   LI
   LO
   TS
4
GI50 = 3620 nM
   TI
   LI
   LO
   TS
5
IC50 = 141 nM
   TI
   LI
   LO
   TS