Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
    Show/Hide
 PubChem ID
CID: 71657835
Canonical SMILES
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
    Show/Hide
Compound Formula C41H40F3N7O6S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
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
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)  4
1
EC50 = 42.66 nM
   TI
   LI
   LO
   TS
2
EC50 = 57.54 nM
   TI
   LI
   LO
   TS
3
EC50 = 123.03 nM
   TI
   LI
   LO
   TS
4
EC50 = 933.25 nM
   TI
   LI
   LO
   TS