Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9181253, 126
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 PubChem ID
CID: 121494160
Canonical SMILES
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12
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Compound Formula C18H16ClF2N5O2
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
CL000814 Mt2-4
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 1260 nM
   TI
   LI
   LO
   TS