General Information of Drug (ID: DM9O8VY)

Drug Name
4-(6-morpholino-4-oxo-4H-pyran-2-yl)benzonitrile
Synonyms CHEMBL222765; 4-(6-morpholino-4-oxo-4H-pyran-2-yl)benzonitrile
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) 282.29
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H14N2O3
IUPAC Name
4-(6-morpholin-4-yl-4-oxopyran-2-yl)benzonitrile
Canonical SMILES
C1COCCN1C2=CC(=O)C=C(O2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)15-9-14(19)10-16(21-15)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2
InChIKey
GGAAWYRRMFPEHA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16203359
TTD ID
D0K3VK

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.