General Information of Drug (ID: DMSO2JW)

Drug Name
6-(4-chlorophenyl)-2-morpholin-4-ylpyridin-4-ol
Synonyms CHEMBL225150; 6-(4-chlorophenyl)-2-morpholin-4-ylpyridin-4-ol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.74
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H15ClN2O2
IUPAC Name
2-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyridin-4-one
Canonical SMILES
C1COCCN1C2=CC(=O)C=C(N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)14-9-13(19)10-15(17-14)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKey
PETWHCAMQFMDRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16203826
TTD ID
D0LC5C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA-dependent protein kinase catalytic (PRKDC) TTK3PY9 PRKDC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyranone, thiopyranone, and pyridone inhibitors of phosphatidylinositol 3-kinase related kinases. Structure-activity relationships for DNA-dependen... J Med Chem. 2007 Apr 19;50(8):1958-72.