Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[5-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]pent-4-ynyl]benzamide
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 PubChem ID
CID: 168279326
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C#CCCCNC(=O)c3ccccc3)ncnc12
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Compound Formula C28H28N6O5
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)
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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
CL000386 Flp-In-CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 61.66 nM
   TI
   LI
   LO
   TS
2
EC50 = 223.87 nM
   TI
   LI
   LO
   TS