Details of the Drug

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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.