Details of the Drug

General Information of Drug (ID: DMCVF7R)

Drug Name

2-morpholin-4-yl-6-phenyl-4H-thiopyran-4-one

Synonyms

CHEMBL276746; 2-morpholino-6-phenyl-4H-thiopyran-4-one; 2-morpholin-4-yl-6-phenyl-thiopyran-4-one; 2-morpholin-4-yl-6-phenyl-4H-thiopyran-4-one; SCHEMBL5842568

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)

273.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H15NO2S
IUPAC Name: 2-morpholin-4-yl-6-phenylthiopyran-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C=C(S2)C3=CC=CC=C3
InChI: InChI=1S/C15H15NO2S/c17-13-10-14(12-4-2-1-3-5-12)19-15(11-13)16-6-8-18-9-7-16/h1-5,10-11H,6-9H2
InChIKey: ZRGAPZKMQHRLTD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9965345
TTD ID: D03MDA

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)

MIA Detail

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.