Brief Information of the Compound and Protein
Compound Name
N-[(4-fluorophenyl)methyl]-4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]carbamoylamino]piperidine-1-carboxamide
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PubChem ID
CID: 60156108
SID: 144087195
Canonical SMILES
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
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Compound Formula C25H25FN10O3
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 15 nM
   TI
   LI
   LO
   TS
2
Ki = 4.9 nM
   TI
   LI
   LO
   TS