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
Multidrug resistance-associated protein 1
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCC subfamily
Uniprot ID
P33527
Gene Name
ABCC1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000348 H69AR Homo sapiens (Human)  2
1
IC50 = 2260 nM
   TI
   LI
   LO
   TS
2
IC50 = 9110 nM
   TI
   LI
   LO
   TS