Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1,3-dipropyl-8-[1-[3-[3-(trifluoromethoxy)phenyl]prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione
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 PubChem ID
CID: 57429602
Canonical SMILES
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1
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Compound Formula C24H23F3N6O3
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2b
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
P29275
Gene Name
ADORA2B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 3.6 nM
   TI
   LI
   LO
   TS
2
Ki = 8.8 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 90 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 13 nM