Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(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 Show/Hide
Compound Formula	C18H18ClIN6O4

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)	9
1	EC50 = 1.2 nM	TI LI LO TS
2	IC50 = 2.2 nM	TI LI LO TS
3	Ki = 0.2 nM	TI LI LO TS
4	Ki = 0.22 nM	TI LI LO TS
5	Ki = 0.33 nM	TI LI LO TS
6	Ki = 0.3802 nM	TI LI LO TS
7	Ki = 1 nM	TI LI LO TS
8	Ki = 1.5 nM	TI LI LO TS
9	Ki = 6.3 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	2
1	Ki = 4.3 nM	TI LI LO TS
2	Ki = 20.1 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	5
1	EC50 = 4.1 nM	TI LI LO TS
2	ED50 = 100 nM	TI LI LO TS
3	Ki = 0.33 nM	TI LI LO TS
4	Ki = 0.637 nM	TI LI LO TS
5	Ki = 1.1 nM	TI LI LO TS

Biochemical Assays