Brief Information of the Compound and Protein
Compound Name
 Compound Info 
methyl 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylmethyl]benzoate
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 PubChem ID
CID: 139030524
Canonical SMILES
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1
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Compound Formula C20H14N4O3S
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 313 nM
   TI
   LI
   LO
   TS
2
Ki = 68 nM
   TI
   LI
   LO
   TS