Drug Information

Drug General Information
Drug ID
D09YAL
Former ID
DNC007225
Drug Name
6-tert-Butyl-2-morpholin-4-yl-4H-thiopyran-4-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528738]
Formula
C13H19NO2S
Canonical SMILES
CC(C)(C)C1=CC(=O)C=C(S1)N2CCOCC2
InChI
1S/C13H19NO2S/c1-13(2,3)11-8-10(15)9-12(17-11)14-4-6-16-7-5-14/h8-9H,4-7H2,1-3H3
InChIKey
HCEFXOMYHGQVRM-UHFFFAOYSA-N
PubChem Compound ID
16204165
Target and Pathway
Target(s) DNA-dependent protein kinase catalytic subunit Target Info Inhibitor [528738]
KEGG Pathway Non-homologous end-joining
Cell cycle
NetPath Pathway IL1 Signaling Pathway
Pathway Interaction Database DNA-PK pathway in nonhomologous end joining
Coregulation of Androgen receptor activity
Class I PI3K signaling events mediated by Akt
BARD1 signaling events
Reactome Nonhomologous End-Joining (NHEJ)
WikiPathways DNA Damage Response
Non-homologous end joining
FAS pathway and Stress induction of HSP regulation
Cytosolic sensors of pathogen-associated DNA
Retinoblastoma (RB) in Cancer
Prostate Cancer
Double-Strand Break Repair
Cell Cycle
miRNA Regulation of DNA Damage Response
References
Ref 528738J Med Chem. 2007 Apr 19;50(8):1958-72. Epub 2007 Mar 20.Pyranone, thiopyranone, and pyridone inhibitors of phosphatidylinositol 3-kinase related kinases. Structure-activity relationships for DNA-dependent protein kinase inhibition, and identification of the first potent and selective inhibitor of the ataxia telangiectasia mutated kinase.
Ref 528738J Med Chem. 2007 Apr 19;50(8):1958-72. Epub 2007 Mar 20.Pyranone, thiopyranone, and pyridone inhibitors of phosphatidylinositol 3-kinase related kinases. Structure-activity relationships for DNA-dependent protein kinase inhibition, and identification of the first potent and selective inhibitor of the ataxia telangiectasia mutated kinase.