Brief Information of the Compound and Protein
Compound Name
6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine
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Canonical SMILES
Cn1cc(-c2noc(n2)-c2cc(Nc3ccccc3)ncn2)c2ccccc12
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Compound Formula C21H16N6O
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
CL000839 MDCK2/BCRP Canis lupus familiaris (Dog)  2
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
2
IC50 = 260 nM
   TI
   LI
   LO
   TS