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 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)	19
1	EC50 = 12.58 nM	TI LI LO TS
2	EC50 = 17.38 nM	TI LI LO TS
3	EC50 = 18 nM	TI LI LO TS
4	EC50 = 21.9 nM	TI LI LO TS
5	EC50 = 40 nM	TI LI LO TS
6	EC50 = 45 nM	TI LI LO TS
7	EC50 = 50 nM	TI LI LO TS
8	Ki = 1.5 nM	TI LI LO TS
9	Ki = 2.2 nM	TI LI LO TS
10	Ki = 8.41 nM	TI LI LO TS
11	Ki = 12.2 nM	TI LI LO TS
12	Ki = 12.4 nM	TI LI LO TS
13	Ki = 12.5 nM	TI LI LO TS
14	Ki = 16 nM	TI LI LO TS
15	Ki = 19.1 nM	TI LI LO TS
16	Ki = 20 nM	TI LI LO TS
17	Ki = 21.4 nM	TI LI LO TS
18	Ki = 24.6 nM	TI LI LO TS
19	Ki = 29.2 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	EC50 = 11.22 nM	TI LI LO TS
2	EC50 = 17.6 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	3
1	Ki = 5.24 nM	TI LI LO TS
2	Ki = 21.5 nM	TI LI LO TS
3	Ki = 21.6 nM	TI LI LO TS
CL000386	Flp-In-CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	4
1	EC50 = 2.512 nM	TI LI LO TS
2	EC50 = 3.311 nM	TI LI LO TS
3	EC50 = 4.786 nM	TI LI LO TS
4	EC50 = 12.59 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	7
1	Activity = 0.75 nM	TI LI LO TS
2	IC50 = 37 nM	TI LI LO TS
3	Ki = 2.2 nM	TI LI LO TS
4	Ki = 20 nM	TI LI LO TS
5	Ki = 35 nM	TI LI LO TS
6	Ki = 60 nM	TI LI LO TS
7	Ki = 124 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	1
1	Ki = 130 nM	TI LI LO TS
CL000028	PC-12 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 110 nM	TI LI LO TS
CL000012	Sf21 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	Ki = 25 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 10 nM
2	IC50 = 15 nM
3	IC50 = 23 nM
4	IC50 = 64 nM
5	IC50 = 67 nM
6	Ki = 1 nM
7	Ki = 2.2 nM
8	Ki = 12 nM
9	Ki = 15.1 nM
10	Ki = 20 nM
11	Ki = 52 nM
12	Ki = 60 nM
13	Ki = 680 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han