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 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)	17
1	EC50 = 0.3631 nM	TI LI LO TS
2	EC50 = 10.2 nM	TI LI LO TS
3	EC50 = 30 nM	TI LI LO TS
4	EC50 = 1479.11 nM	TI LI LO TS
5	IC50 = 0.7943 nM	TI LI LO TS
6	Kd = 575.44 nM	TI LI LO TS
7	Ki = 3 nM	TI LI LO TS
8	Ki = 4.6 nM	TI LI LO TS
9	Ki = 5 nM	TI LI LO TS
10	Ki = 6.8 nM	TI LI LO TS
11	Ki = 7.8 nM	TI LI LO TS
12	Ki = 8.62 nM	TI LI LO TS
13	Ki = 12 nM	TI LI LO TS
14	Ki = 14 nM	TI LI LO TS
15	Ki = 18.2 nM	TI LI LO TS
16	Ki = 18.3 nM	TI LI LO TS
17	Ki = 1122.02 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	7
1	EC50 = 1.096 nM	TI LI LO TS
2	EC50 = 1.82 nM	TI LI LO TS
3	EC50 = 5.03 nM	TI LI LO TS
4	IC50 = 0.2089 nM	TI LI LO TS
5	IC50 = 1.122 nM	TI LI LO TS
6	Ki = 83.18 nM	TI LI LO TS
7	Ki = 5011.87 nM	TI LI LO TS
CL000386	Flp-In-CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	7
1	EC50 = 0.4365 nM	TI LI LO TS
2	EC50 = 0.5012 nM	TI LI LO TS
3	EC50 = 0.7586 nM	TI LI LO TS
4	EC50 = 1.259 nM	TI LI LO TS
5	EC50 = 1.38 nM	TI LI LO TS
6	EC50 = 1.622 nM	TI LI LO TS
7	EC50 = 4.898 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	5
1	EC50 = 0.12 nM	TI LI LO TS
2	Kd = 234.42 nM	TI LI LO TS
3	Ki = 1.04 nM	TI LI LO TS
4	Ki = 204.17 nM	TI LI LO TS
5	Ki = 245.47 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 59 nM
2	Kd = 8.6 nM
3	Kd = 9.12 nM
4	Kd = 213.8 nM
5	Kd = 489.78 nM
6	Kd = 4168.69 nM
7	Ki = 12 nM
8	Ki = 13.6 nM
9	Ki = 14 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han