Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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 PubChem ID
CID: 5697
SID: 14832106
Canonical SMILES
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
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Compound Formula C21H28N6O4
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
Protein Classification
Membrane receptor
>
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
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  3
1
Ki = 7.89 nM
   TI
   LI
   LO
   TS
2
Ki = 15.6 nM
   TI
   LI
   LO
   TS
3
Ki = 45.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
Kd = 19.95 nM
   TI
   LI
   LO
   TS
2
Ki = 18.4 nM
   TI
   LI
   LO
   TS
3
Ki = 25.12 nM
   TI
   LI
   LO
   TS