Brief Information of the Compound and Protein
Compound Name
4-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-4-oxobutanamide
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PubChem ID
CID: 166627793
Canonical SMILES
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nc(n1)-c1ccc(OC)cc1
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Compound Formula C35H38N6O5
Compound Structure
Protein Name
Adenosine receptor A3
Protein Classification
Membrane receptor
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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
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
CL000017 HeLa Homo sapiens (Human)  2
1
Ki = 3400 nM
   TI
   LI
   LO
   TS
2
Ki = 11600 nM
   TI
   LI
   LO
   TS