Brief Information of the Compound and Protein
Compound Name
2-[4-(7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
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PubChem ID
CID: 16618023
Canonical SMILES
CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(C(N)=O)c3ccccc3)c21)-c1cccnc1
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Compound Formula C28H30N6OS
Compound Structure
Protein Name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein Classification
Transporter
>
Primary active transporter
>
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
CL000756 MCF/MX Homo sapiens (Human)  3
1
EC50 = 2730 nM
   TI
   LI
   LO
   TS
2
GI50 = 22400 nM
   TI
   LI
   LO
   TS
3
GI50 = 75400 nM
   TI
   LI
   LO
   TS
CL000036 MDCK-II Canis lupus familiaris (Dog)  5
1
EC50 = 1310 nM
   TI
   LI
   LO
   TS
2
GI50 = 662 nM
   TI
   LI
   LO
   TS
3
GI50 = 2440 nM
   TI
   LI
   LO
   TS
4
GI50 = 3080 nM
   TI
   LI
   LO
   TS
5
IC50 = 2380 nM
   TI
   LI
   LO
   TS