Brief Information of the Compound and Protein
Compound Name
(E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid
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PubChem ID
CID: 5281888
SID: 14811472
Canonical SMILES
CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
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Compound Formula C26H27ClN2O3S2
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
CL000895 2008/MRP1 Homo sapiens (Human)  1
1
EC50 = 19000 nM
   TI
   LI
   LO
   TS
CL000885 HeLa-T5 Homo sapiens (Human)  2
1
IC50 = 3300 nM
   TI
   LI
   LO
   TS
2
Ki = 600 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 2850 nM
   TI
   LI
   LO
   TS
CL000358 NCI-H69 Homo sapiens (Human)  1
1
EC50 = 12400 nM
   TI
   LI
   LO
   TS