Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1'S,2'R,3'S,4'R,5'S)-4'-[6-(3-Chlorobenzylamino)-2-(1,6-heptadiynyl)-9H-purin-9-yl]-2',3'-dihydroxybicyclo[3.1.0]-hexane-1'-carboxylic acid N-methylamide
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 PubChem ID
CID: 46230545
Canonical SMILES
CNC(=O)[C@@]12C[C@@H]1[C@@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC#C
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Compound Formula C27H27ClN6O3
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P29274
Gene Name
ADORA2A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 4330 nM
   TI
   LI
   LO
   TS