Details of the Drug

General Information of Drug (ID: DMASH36)

Drug Name

2-(3-methoxyphenyl)-6-morpholino-4H-pyran-4-one

Synonyms

CHEMBL106543; 2-(3-methoxyphenyl)-6-morpholino-4H-pyran-4-one; SCHEMBL3538409; BDBM50132356; 2-Morpholino-6-(3-methoxyphenyl)-4H-pyran-4-one

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)

287.31

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H17NO4
IUPAC Name: 2-(3-methoxyphenyl)-6-morpholin-4-ylpyran-4-one
Canonical SMILES: COC1=CC=CC(=C1)C2=CC(=O)C=C(O2)N3CCOCC3
InChI: InChI=1S/C16H17NO4/c1-19-14-4-2-3-12(9-14)15-10-13(18)11-16(21-15)17-5-7-20-8-6-17/h2-4,9-11H,5-8H2,1H3
InChIKey: OLIONIBTYZDPMY-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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pyranone, thiopyranone, and pyridone inhibitors of phosphatidylinositol 3-kinase related kinases. Structure-activity relationships for DNA-dependen... J Med Chem. 2007 Apr 19;50(8):1958-72.