Brief Information of the Compound and Protein
Compound Name
(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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PubChem ID
CID: 3035850
SID: 12015329
Canonical SMILES
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
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Compound Formula C18H18ClIN6O4
Compound Structure
Protein Name
Adenosine receptor A3
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
Q61618
Gene Name
ADORA3
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)  3
1
EC50 = 0.15 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.46 nM
   TI
   LI
   LO
   TS
3
Ki = 0.18 nM
   TI
   LI
   LO
   TS