General Information of Drug (ID: DMO7RPW)

Drug Name
6-Methyl-4-morpholin-4-yl-chromen-2-one
Synonyms
CHEMBL361588; 6-methyl-4-morpholin-4-yl-chromen-2-one; 6-Methyl-4-morpholino-coumarin; MolPort-000-485-396; BDBM50159606; ZINC13608106; STK908587; AKOS002216573; MCULE-4100962736; NCGC00327351-01; 6-methyl-4-morpholin-4-ylchromen-2-one; ST096430; AB01322204-02
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) 245.27
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H15NO3
IUPAC Name
6-methyl-4-morpholin-4-ylchromen-2-one
Canonical SMILES
CC1=CC2=C(C=C1)OC(=O)C=C2N3CCOCC3
InChI
InChI=1S/C14H15NO3/c1-10-2-3-13-11(8-10)12(9-14(16)18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3
InChIKey
XWKCKOOKHALUIU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11075707
TTD ID
D0JB6H

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.