Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-(3-bromophenoxy)cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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 PubChem ID
CID: 168273986
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12
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Compound Formula C21H24BrN5O5
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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  6
1
Kd = 33.88 nM
   TI
   LI
   LO
   TS
2
Ki = 8.128 nM
   TI
   LI
   LO
   TS
3
Ki = 28.18 nM
   TI
   LI
   LO
   TS
4
Ki = 63.1 nM
   TI
   LI
   LO
   TS
5
Ki = 100 nM
   TI
   LI
   LO
   TS
6
Ki = 426.58 nM
   TI
   LI
   LO
   TS