Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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 PubChem ID
CID: 2519
SID: 14772978
Canonical SMILES
Cn1cnc2n(C)c(=O)n(C)c(=O)c12
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Compound Formula C8H10N4O2
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 44900 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 49000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 45000 nM
2 Ki = 10700 nM
3 Ki = 29000 nM
4 Ki = 44900 nM