Brief Information of the Compound and Protein
Compound Name
6-propan-2-yl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepan-1-yl]quinoline-3-carbonitrile
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PubChem ID
CID: 154864357
Canonical SMILES
CC(C)c1ccc2ncc(C#N)c(N3CCCN(CC3)c3nnc(s3)C(F)(F)F)c2c1
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Compound Formula C21H21F3N6S
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
CL000839 MDCK2/BCRP Canis lupus familiaris (Dog)  2
1
IC50 = 1980 nM
   TI
   LI
   LO
   TS
2
IC50 = 3910 nM
   TI
   LI
   LO
   TS