General Information of Drug (ID: DMTBRLK)

Drug Name
2-morpholino-6-(quinolin-8-yl)-4H-pyran-4-one
Synonyms CHEMBL223041; 2-morpholino-6-(quinolin-8-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) 308.3
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H16N2O3
IUPAC Name
2-morpholin-4-yl-6-quinolin-8-ylpyran-4-one
Canonical SMILES
C1COCCN1C2=CC(=O)C=C(O2)C3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C18H16N2O3/c21-14-11-16(23-17(12-14)20-7-9-22-10-8-20)15-5-1-3-13-4-2-6-19-18(13)15/h1-6,11-12H,7-10H2
InChIKey
GJFZIARIYRYNDJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16204049
TTD ID
D0Z3CC

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.