Details of the Drug

General Information of Drug (ID: DM8QPTJ)

Drug Name

4-morpholino-6-phenyl-2H-pyran-2-one

Synonyms

CHEMBL221409; 4-morpholino-6-phenyl-2H-pyran-2-one; SCHEMBL3542543

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)

257.279

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H15NO3
IUPAC Name: 4-morpholin-4-yl-6-phenylpyran-2-one
Canonical SMILES: C1COCCN1C2=CC(=O)OC(=C2)C3=CC=CC=C3
InChI: InChI=1S/C15H15NO3/c17-15-11-13(16-6-8-18-9-7-16)10-14(19-15)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKey: VKOGCIIARBRLEC-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.