Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[3,4-c]pyridine-5-carbonitrile
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 PubChem ID
CID: 167312186
Canonical SMILES
COc1cc(Nc2nc(cc3c(n[nH]c23)-c2ccccc2)C#N)cc(OC)c1OC
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Compound Formula C22H19N5O3
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)
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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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 199.53 nM
   TI
   LI
   LO
   TS
2
Ki = 4.365 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 1.738 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 3.631 nM
2 Kd = 7.943 nM
3 Kd = 9.333 nM
4 Kd = 13.49 nM
5 Kd = 23.44 nM