Brief Information of the Compound and Protein
Compound Name
methyl 3-[[2-[4-[2-[2-[4-[[benzyl-[[1-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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PubChem ID
CID: 89795337
Canonical SMILES
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1
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Compound Formula C69H63N7O14
Compound Structure
Protein Name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
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
CL000462 HEKR2 Homo sapiens (Human)  2
1
EC50 = 5.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 14.5 nM
   TI
   LI
   LO
   TS
CL000415 MCF-7 MX100 Homo sapiens (Human)  1
1
EC50 = 3.3 nM
   TI
   LI
   LO
   TS