Brief Information of the Compound and Protein
Compound Name
 Compound Info 
methyl 3-[(6-amino-3,5-dicyano-4-pyridin-3-ylpyridin-2-yl)sulfanylmethyl]benzoate
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 PubChem ID
CID: 155542311
Canonical SMILES
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccnc3)c2C#N)c1
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Compound Formula C21H15N5O2S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
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
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 6.26 nM
   TI
   LI
   LO
   TS
2
Ki = 1.18 nM
   TI
   LI
   LO
   TS