Brief Information of the Compound and Protein
Compound Name
8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarbonyloxy)propyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine
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PubChem ID
CID: 11765357
SID: 16873396
Canonical SMILES
FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
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Compound Formula C30H30F2N4O10S2
Compound Structure
Protein Name
Adenosine receptor A1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P30542
Gene Name
ADORA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000331 DDT1-MF2 Mesocricetus auratus (Golden hamster)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 0.82 nM