Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(Z)-3-(4-((1-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)-2,10,17-trioxo-3,6,9,16-tetraazaoctadecan-18-yl)oxy)styryl)-5,5-difluoro-8-(1Hpyrrol-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
    Show/Hide
 PubChem ID
CID: 54587624
SID: 135629044
Canonical SMILES
Nc1nc2c(cnn2CCCc2ccc(OCC(=O)NCCNCCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7ccc[nH]7)n6[B-]5(F)F)C=C4)cc3)cc2)c2nc(-c3ccco3)nn12
    Show/Hide
Compound Formula C54H57BF2N14O6
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
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
P29274
Gene Name
ADORA2A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 15.1 nM
   TI
   LI
   LO
   TS