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 A1

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

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
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	5
1	Ki = 220 nM	TI LI LO TS
2	Ki = 222 nM	TI LI LO TS
3	Ki = 823 nM	TI LI LO TS
4	Ki = 890 nM	TI LI LO TS
5	Ki = 1240 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 5.26 nM	TI LI LO TS

Biochemical Assays

1	Ki = 99 nM
2	Ki = 222 nM