Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-(3-(3-(2-(2-(3-((2-(Furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)propoxy)ethoxy)-ethoxy)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid
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 PubChem ID
CID: 155537874
Canonical SMILES
Cn1cc2c(nc(NCCCOCCOCCOCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1
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Compound Formula C42H41N9O9S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
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
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)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS