Details of the Drug

General Information of Drug (ID: DMJMWOE)

Drug Name

8-Phenyl-2-thiomorpholin-4-yl-chromen-4-one

Synonyms

CHEMBL175944; 8-phenyl-2-thiomorpholin-4-yl-chromen-4-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.4

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H17NO2S
IUPAC Name: 8-phenyl-2-thiomorpholin-4-ylchromen-4-one
Canonical SMILES: C1CSCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H17NO2S/c21-17-13-18(20-9-11-23-12-10-20)22-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKey: BJZCLUNKKGYDPF-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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85.