Details of the Drug

General Information of Drug (ID: DMR713M)

Drug Name

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

Synonyms

CHEMBL175459; 130735-66-9; 4H-1-Benzopyran-4-one, 7-methoxy-2-(4-morpholinyl)-; 7-methoxy-2-morpholin-4-yl-chromen-4-one; ACMC-20mts5; 4H-1-Benzopyran-4-one,7-methoxy-2-(4-morpholinyl)-; SCHEMBL3536694; CTK0C1164; DTXSID00466243; BDBM50159634

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)

261.269

Logarithm of the Partition Coefficient (xlogp)

1.5

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-2-morpholin-4-ylchromen-4-one
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C=C(O2)N3CCOCC3
InChI: InChI=1S/C14H15NO4/c1-17-10-2-3-11-12(16)9-14(19-13(11)8-10)15-4-6-18-7-5-15/h2-3,8-9H,4-7H2,1H3
InChIKey: TVHCBKPEOVWUEQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11448366
CAS Number: 130735-66-9
TTD ID: D0ZQ8Z

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.