Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CAS_52-53-9
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 PubChem ID
CID: 2520
SID: 14784349
Canonical SMILES
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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Compound Formula C27H38N2O4
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 1925 nM
   TI
   LI
   LO
   TS
2
Ki = 13200 nM
   TI
   LI
   LO
   TS
3
Ki = 13400 nM
   TI
   LI
   LO
   TS
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  4
1
EC50 = 6800 nM
   TI
   LI
   LO
   TS
2
IC50 = 3500 nM
   TI
   LI
   LO
   TS
3
IC50 = 4500 nM
   TI
   LI
   LO
   TS
4
IC50 = 6800 nM
   TI
   LI
   LO
   TS
CL000359 MDCK-MDR1
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
EC50 = 6800 nM
   TI
   LI
   LO
   TS
CL000358 NCI-H69
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 27800 nM
   TI
   LI
   LO
   TS
CL000239 OV-2008
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 9660 nM
   TI
   LI
   LO
   TS