Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
    Show/Hide
 PubChem ID
CID: 56671814
Canonical SMILES
C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
    Show/Hide
Compound Formula C21H22Cl2FN5O
Compound Structure
Protein Name
 Protein Info 
Oxidized purine nucleoside triphosphate hydrolase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P36639
Gene Name
NUDT1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000002 K-562
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 138 nM
2 Kd = 39 nM