Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carbonitrile
    Show/Hide
 PubChem ID
CID: 142581489
Canonical SMILES
CC1(CCN(CC1)c1c(cnc2[nH]ncc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
    Show/Hide
Compound Formula C19H25N7O3S
Compound Structure
Protein Name
 Protein Info 
Aldehyde dehydrogenase 1A1
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P00352
Gene Name
ALDH1A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000207 MIA PaCa-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 15600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 251 nM