Brief Information of the Compound and Protein
Compound Name
8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione
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PubChem ID
CID: 5311037
SID: 12014869
Canonical SMILES
CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
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Compound Formula C20H24N4O4
Compound Structure
Protein Name
Adenosine receptor A2a
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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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 Cricetulus griseus (Chinese hamster)  4
1
Ki = 12 nM
   TI
   LI
   LO
   TS
2
Ki = 36 nM
   TI
   LI
   LO
   TS
3
Ki = 90.8 nM
   TI
   LI
   LO
   TS
4
Ki = 91.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  6
1
Kd = 1258.93 nM
   TI
   LI
   LO
   TS
2
Ki = 2.2 nM
   TI
   LI
   LO
   TS
3
Ki = 6 nM
   TI
   LI
   LO
   TS
4
Ki = 47.4 nM
   TI
   LI
   LO
   TS
5
Ki = 91.2 nM
   TI
   LI
   LO
   TS
6
Ki = 199.53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 12 nM
2 Ki = 36 nM
3 Ki = 72 nM