Details of the Drug

General Information of Drug (ID: DMHJIN0)

Drug Name

6-Chloro-4-morpholin-4-yl-chromen-2-one

Synonyms

CHEMBL179591; 6-chloro-4-morpholin-4-yl-chromen-2-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)

265.69

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H12ClNO3
IUPAC Name: 6-chloro-4-morpholin-4-ylchromen-2-one
Canonical SMILES: C1COCCN1C2=CC(=O)OC3=C2C=C(C=C3)Cl
InChI: InChI=1S/C13H12ClNO3/c14-9-1-2-12-10(7-9)11(8-13(16)18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKey: IKOYKMNERRYCAN-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.