Brief Information of the Compound and Protein
Compound Name
4-[[2-phenyl-6-(4-phenylbutylamino)pyrimidin-4-yl]amino]benzonitrile
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Canonical SMILES
N#Cc1ccc(Nc2cc(NCCCCc3ccccc3)nc(n2)-c2ccccc2)cc1
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Compound Formula C27H25N5
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 = 187 nM
   TI
   LI
   LO
   TS
2
GI50 = 494 nM
   TI
   LI
   LO
   TS
3
GI50 = 3750 nM
   TI
   LI
   LO
   TS
4
GI50 = 4840 nM
   TI
   LI
   LO
   TS
5
IC50 = 147 nM
   TI
   LI
   LO
   TS