Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester
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 PubChem ID
CID: 6603931
SID: 14883713
Canonical SMILES
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
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Compound Formula C26H26N6O4
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
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
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
CL001021 HEK-A2A
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 260 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
2
Ki = 500 nM
   TI
   LI
   LO
   TS
3
Ki = 503 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 503 nM
2 Ki = 512.86 nM