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 A1
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
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
Ki = 0.8 nM
   TI
   LI
   LO
   TS
2
Ki = 0.83 nM
   TI
   LI
   LO
   TS
3
Ki = 15.1 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.5012 nM
   TI
   LI
   LO
   TS
CL000314 HEK293T/17
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 4.6 nM
   TI
   LI
   LO
   TS
2
EC50 = 14 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.4 nM