Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

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PubChem ID

CID: 448222

SID: 14849888

Canonical SMILES	CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show/Hide
Compound Formula	C12H16N6O4

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)	16
1	EC50 = 4.571 nM	TI LI LO TS
2	EC50 = 63 nM	TI LI LO TS
3	EC50 = 84.8 nM	TI LI LO TS
4	EC50 = 346.74 nM	TI LI LO TS
5	Ki = 6 nM	TI LI LO TS
6	Ki = 6.2 nM	TI LI LO TS
7	Ki = 8.22 nM	TI LI LO TS
8	Ki = 12.8 nM	TI LI LO TS
9	Ki = 16 nM	TI LI LO TS
10	Ki = 30 nM	TI LI LO TS
11	Ki = 34.6 nM	TI LI LO TS
12	Ki = 34.8 nM	TI LI LO TS
13	Ki = 35 nM	TI LI LO TS
14	Ki = 35.7 nM	TI LI LO TS
15	Ki = 73 nM	TI LI LO TS
16	Ki = 75.5 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	EC50 = 14.79 nM	TI LI LO TS
2	IC50 = 0.4898 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	4
1	EC50 = 78 nM	TI LI LO TS
2	EC50 = 10400 nM	TI LI LO TS
3	Ki = 169 nM	TI LI LO TS
4	Ki = 3200 nM	TI LI LO TS
CL000386	Flp-In-CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	7
1	EC50 = 0.1175 nM	TI LI LO TS
2	EC50 = 3.162 nM	TI LI LO TS
3	EC50 = 14.13 nM	TI LI LO TS
4	EC50 = 15.85 nM	TI LI LO TS
5	EC50 = 47.86 nM	TI LI LO TS
6	IC50 = 0.9333 nM	TI LI LO TS
7	Ki = 190.55 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	2
1	Ki = 20 nM	TI LI LO TS
2	Ki = 17700 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	8
1	EC50 = 154 nM	TI LI LO TS
2	EC50 = 177 nM	TI LI LO TS
3	Ki = 10.2 nM	TI LI LO TS
4	Ki = 10.6 nM	TI LI LO TS
5	Ki = 11 nM	TI LI LO TS
6	Ki = 19.6 nM	TI LI LO TS
7	Ki = 44.1 nM	TI LI LO TS
8	Ki = 89.13 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	1
1	Ki = 4 nM	TI LI LO TS

Biochemical Assays

1	Ki = 0.8 nM
2	Ki = 0.9 nM
3	Ki = 6.2 nM
4	Ki = 11 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han