General Information of Drug (ID: DMNFIZD)

Drug Name
7-Methoxy-4-morpholin-4-yl-chromen-2-one
Synonyms CHEMBL177241; 7-methoxy-4-morpholin-4-yl-chromen-2-one; BDBM50159670
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) 261.269
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H15NO4
IUPAC Name
7-methoxy-4-morpholin-4-ylchromen-2-one
Canonical SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)N3CCOCC3
InChI
InChI=1S/C14H15NO4/c1-17-10-2-3-11-12(15-4-6-18-7-5-15)9-14(16)19-13(11)8-10/h2-3,8-9H,4-7H2,1H3
InChIKey
DRJQJIYPCHBMLO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11357448
TTD ID
D0O4KC

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 Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85.