Brief Information of the Compound and Protein
Compound Name
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(methylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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PubChem ID
CID: 71461219
SID: 163506766
Canonical SMILES
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C#CC(C)(C)O
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Compound Formula C21H27N7O2
Compound Structure
Protein Name
Serine/threonine-protein kinase Chk1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
CAMK protein kinase group
>
CAMK protein kinase CAMK1 family
>
CAMK protein kinase CHK1 subfamily
Uniprot ID
O14757
Gene Name
CHEK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 = 65 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.9 nM