Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide
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 PubChem ID
CID: 123683
SID: 14909248
Canonical SMILES
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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Compound Formula C18H19IN6O4
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Nucleotide-like receptor (family A GPCR)
>
Adenosine receptor
Uniprot ID
P0DMS8
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
Ki = 1 nM
   TI
   LI
   LO
   TS
2
Ki = 1.1 nM
   TI
   LI
   LO
   TS
3
Ki = 1.74 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.78 nM
   TI
   LI
   LO
   TS
2
Ki = 0.72 nM
   TI
   LI
   LO
   TS
CL000386 Flp-In-CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.5012 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  9
1
ED50 = 28 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
3
IC50 = 1.2 nM
   TI
   LI
   LO
   TS
4
Ki = 0.215 nM
   TI
   LI
   LO
   TS
5
Ki = 0.37 nM
   TI
   LI
   LO
   TS
6
Ki = 0.84 nM
   TI
   LI
   LO
   TS
7
Ki = 0.96 nM
   TI
   LI
   LO
   TS
8
Ki = 1.1 nM
   TI
   LI
   LO
   TS
9
Ki = 1.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.13 nM
2 IC50 = 1.2 nM
3 IC50 = 2.5 nM
4 Ki = 0.08 nM
5 Ki = 0.7 nM
6 Ki = 0.9 nM
7 Ki = 1 nM
8 Ki = 1.2 nM
9 Ki = 1.4 nM
10 Ki = 1.6 nM
11 Ki = 1.74 nM
12 Ki = 2 nM
13 Ki = 4.4 nM
14 Ki = 1800 nM