Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
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 PubChem ID
CID: 5310960
SID: 14856642
Canonical SMILES
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
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Compound Formula C21H20N8O3
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)  5
1
IC50 = 4.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 5.2 nM
   TI
   LI
   LO
   TS
3
Ki = 0.29 nM
   TI
   LI
   LO
   TS
4
Ki = 0.8 nM
   TI
   LI
   LO
   TS
5
Ki = 602.56 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 0.29 nM
   TI
   LI
   LO
   TS
2
Ki = 0.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 0.55 nM
2 Ki = 0.7998 nM
3 Ki = 0.8 nM
4 Ki = 1130 nM