Brief Information of the Compound and Protein
Compound Name
3-benzyl-1-ethyl-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione
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PubChem ID
CID: 46233347
Canonical SMILES
CCn1c(=O)n(Cc2ccccc2)c2nc(Cc3cccs3)n(C)c2c1=O
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Compound Formula C20H20N4O2S
Compound Structure
Protein Name
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
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 758.58 nM
   TI
   LI
   LO
   TS