Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5S)-2-[6-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol
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 PubChem ID
CID: 44452606
Canonical SMILES
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12
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Compound Formula C17H22ClN5O3
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Mesocricetus auratus (Golden hamster)  2
1
IC50 = 2.6 nM
   TI
   LI
   LO
   TS
2
Ki = 9.8 nM
   TI
   LI
   LO
   TS