Brief Information of the Compound and Protein
Compound Name
methyl 3-[[2-[4-[2-[2-[4-[[4-[[1-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
    Show/Hide
PubChem ID
CID: 155558919
Canonical SMILES
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1
    Show/Hide
Compound Formula C66H64N8O14
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)  1
1
EC50 = 17.8 nM
   TI
   LI
   LO
   TS
CL000415 MCF-7 MX100 Homo sapiens (Human)  1
1
EC50 = 18.7 nM
   TI
   LI
   LO
   TS