Brief Information of the Compound and Protein
Compound Name
(3S,6S,12aS)-6-isobutyl-9,10-dimethoxy-3-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
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PubChem ID
CID: 118017356
Canonical SMILES
COc1cc2[nH]c3c(c2cc1OC)C[C@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C
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Compound Formula C21H27N3O4
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
CL000034 Caco-2 Homo sapiens (Human)  2
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS