Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5S)-2-[6-(4-chloro-2-fluoroanilino)purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol
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 PubChem ID
CID: 137658761
Canonical SMILES
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12
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Compound Formula C16H14Cl2FN5O3
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P0DMS8
Gene Name
ADORA3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 4140 nM
   TI
   LI
   LO
   TS
2
Ki = 136 nM
   TI
   LI
   LO
   TS