Details of the Drug

General Information of Drug (ID: DM8ZPJI)

Drug Name

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

Synonyms

CHEMBL223559; 2-morpholino-6-styryl-4H-pyran-4-one; SCHEMBL13435577

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)

283.32

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H17NO3
IUPAC Name: 2-morpholin-4-yl-6-[(E)-2-phenylethenyl]pyran-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C=C(O2)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C17H17NO3/c19-15-12-16(7-6-14-4-2-1-3-5-14)21-17(13-15)18-8-10-20-11-9-18/h1-7,12-13H,8-11H2/b7-6+
InChIKey: ZJOMZZQTJIYOSC-VOTSOKGWSA-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.