Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid

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PubChem ID

CID: 3086599

SID: 14859889

Canonical SMILES	CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show/Hide
Compound Formula	C23H29N7O6

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)	3
1	EC50 = 2.12 nM	TI LI LO TS
2	EC50 = 18.47 nM	TI LI LO TS
3	Ki = 12.48 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	3
1	Kd = 7.6 nM	TI LI LO TS
2	Kd = 27.3 nM	TI LI LO TS
3	Kd = 36.4 nM	TI LI LO TS
CL000386	Flp-In-CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 12.59 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	1
1	Ki = 46.2 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	3
1	Kd = 4.36 nM	TI LI LO TS
2	Ki = 27 nM	TI LI LO TS
3	Ki = 70 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	1
1	Ki = 50 nM	TI LI LO TS
CL000012	Sf21 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	Ki = 21 nM	TI LI LO TS

Biochemical Assays