Brief Information of the Compound and Protein
Compound Name
4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride
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PubChem ID
CID: 10368871
SID: 15382408
Canonical SMILES
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
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Compound Formula C23H28FN5O5S
Compound Structure
Protein Name
Adenosine receptor A1
Protein Classification
Membrane receptor
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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 = 21 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21 nM
2 Kd = 0.24 nM
3 Kd = 0.26 nM
4 Kd = 0.31 nM
5 Kd = 0.36 nM