Brief Information of the Compound and Protein
Compound Name
 Compound Info 
tert-butyl N-[3-[[3-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propylamino]-3-oxopropyl]amino]-3-oxopropyl]carbamate
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 PubChem ID
CID: 166636218
Canonical SMILES
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C
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Compound Formula C34H54N8O7
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
CL000386 Flp-In-CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 12.88 nM
   TI
   LI
   LO
   TS