Details of the Drug

General Information of Drug (ID: DMTWJMN)

Drug Name

2-morpholino-6-(thiophen-2-yl)-4H-pyran-4-one

Synonyms

CHEMBL374133; 2-morpholino-6-(thiophen-2-yl)-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)

263.31

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C13H13NO3S
IUPAC Name: 2-morpholin-4-yl-6-thiophen-2-ylpyran-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C=C(O2)C3=CC=CS3
InChI: InChI=1S/C13H13NO3S/c15-10-8-11(12-2-1-7-18-12)17-13(9-10)14-3-5-16-6-4-14/h1-2,7-9H,3-6H2
InChIKey: MEBJAUWWCSKYMY-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.