Details of the Drug

General Information of Drug (ID: DML1W5Z)

Drug Name

2-biphenyl-4-yl-6-morpholin-4-yl-pyran-4-one

Synonyms

CHEMBL426894; 2-biphenyl-4-yl-6-morpholin-4-yl-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)

333.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H19NO3
IUPAC Name: 2-morpholin-4-yl-6-(4-phenylphenyl)pyran-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO3/c23-19-14-20(25-21(15-19)22-10-12-24-13-11-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2
InChIKey: MIZPDLBPZZKHCN-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.