Brief Information of the Compound and Protein
Compound Name
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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PubChem ID
CID: 155561909
Canonical SMILES
CN(C)c1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
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Compound Formula C19H24N8O4
Compound Structure
Protein Name
Adenosine receptor A2a
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
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
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 17.86 nM
   TI
   LI
   LO
   TS
2
Ki = 6.4 nM
   TI
   LI
   LO
   TS