Brief Information of the Compound and Protein
Compound Name
3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester
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PubChem ID
CID: 10322450
SID: 15331929
Canonical SMILES
COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O
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Compound Formula C26H35N3O5
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 = 1800 nM
   TI
   LI
   LO
   TS
CL000359 MDCK-MDR1 Canis lupus familiaris (Dog)  1
1
IC50 = 6650 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2000 nM