Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-propan-2-yl-7-(3,4,5-trimethoxyanilino)-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile
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 PubChem ID
CID: 168276434
Canonical SMILES
COc1cc(Nc2nc(cc3c(n[nH]c23)C(C)C)C#N)cc(OC)c1OC
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Compound Formula C19H21N5O3
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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 3.236 nM
   TI
   LI
   LO
   TS
2
Ki = 12.3 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 13.8 nM
   TI
   LI
   LO
   TS