Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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 PubChem ID
CID: 123807
SID: 81044344
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
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Compound Formula C15H20ClN5O4
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)
>
Nucleotide-like receptor (family A GPCR)
>
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)  3
1
Ki = 34 nM
   TI
   LI
   LO
   TS
2
Ki = 38 nM
   TI
   LI
   LO
   TS
3
Ki = 18800 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11.22 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 42.3 nM
   TI
   LI
   LO
   TS
2
Ki = 204 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 38 nM
2 Ki = 100 nM
3 Ki = 114 nM
4 Ki = 281 nM
5 Ki = 796 nM