Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-one
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 PubChem ID
CID: 46912314
SID: 99376754
Canonical SMILES
CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
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Compound Formula C12H14N8O
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
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
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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Ki = 197 nM
   TI
   LI
   LO
   TS
2
Ki = 200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 192 nM