General Information of Drug (ID: DMF3NPW)

Drug Name
2-morpholino-6-(thiophen-3-yl)-4H-pyran-4-one
Synonyms CHEMBL223381; 2-morpholino-6-(thiophen-3-yl)-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) 263.31
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
C13H13NO3S
IUPAC Name
2-morpholin-4-yl-6-thiophen-3-ylpyran-4-one
Canonical SMILES
C1COCCN1C2=CC(=O)C=C(O2)C3=CSC=C3
InChI
InChI=1S/C13H13NO3S/c15-11-7-12(10-1-6-18-9-10)17-13(8-11)14-2-4-16-5-3-14/h1,6-9H,2-5H2
InChIKey
LICYALMZYZNUAP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16203942
TTD ID
D0S5SG

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.