Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-[(benzylamino)methyl]-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
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 PubChem ID
CID: 168278837
Canonical SMILES
COc1cc(Nc2nc(CNCc3ccccc3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
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Compound Formula C29H29N5O3
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 = 3.89 nM
   TI
   LI
   LO
   TS
2
Ki = 204.17 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 426.58 nM
   TI
   LI
   LO
   TS