Details of the Drug

General Information of Drug (ID: DMHLKAE)

Drug Name

8-Methoxy-4-morpholin-4-yl-chromen-2-one

Synonyms

CHEMBL176325; 8-methoxy-4-morpholin-4-yl-chromen-2-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)

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: 8-methoxy-4-morpholin-4-ylchromen-2-one
Canonical SMILES: COC1=CC=CC2=C1OC(=O)C=C2N3CCOCC3
InChI: InChI=1S/C14H15NO4/c1-17-12-4-2-3-10-11(9-13(16)19-14(10)12)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3
InChIKey: QMOLGKOGXTXVPG-UHFFFAOYSA-N

Cross-matching ID

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.