Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[[(1R,2R)-2-[(3-methoxyphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-2-carboxamide
    Show/Hide
 PubChem ID
CID: 168269860
Canonical SMILES
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(OC)c3)ncnc12
    Show/Hide
Compound Formula C25H32N6O6
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 = 2.138 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Kd = 912.01 nM
   TI
   LI
   LO
   TS
2
Ki = 407.38 nM
   TI
   LI
   LO
   TS