Bioactivity Information

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 Show/Hide
Compound Formula	C18H19IN6O4

Compound Structure

Protein Name

Protein Info

Adenosine receptor A2a

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

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
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	Ki = 56 nM	TI LI LO TS
2	Ki = 2900 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	3
1	Ki = 32 nM	TI LI LO TS
2	Ki = 143 nM	TI LI LO TS
3	Ki = 370 nM	TI LI LO TS
CL000386	Flp-In-CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 79.43 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	6
1	Ki = 56 nM	TI LI LO TS
2	Ki = 93.1 nM	TI LI LO TS
3	Ki = 510 nM	TI LI LO TS
4	Ki = 2900 nM	TI LI LO TS
5	Ki = 2910 nM	TI LI LO TS
6	Ki = 6200 nM	TI LI LO TS

Biochemical Assays

1	Ki = 2520 nM
2	Ki = 2910 nM