General Information of Drug (ID: DM7EUOX)

Drug Name
2-(4-chlorophenyl)-6-morpholino-4H-pyran-4-one
Synonyms CHEMBL105612; 2-(4-chlorophenyl)-6-morpholino-4H-pyran-4-one; SCHEMBL3535601; BDBM50132355; 2-Morpholino-6-(4-chlorophenyl)-4H-pyran-4-one
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) 291.73
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H14ClNO3
IUPAC Name
2-(4-chlorophenyl)-6-morpholin-4-ylpyran-4-one
Canonical SMILES
C1COCCN1C2=CC(=O)C=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
InChIKey
VYDDKZSYMMZLQU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10062895
TTD ID
D02MPG

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.