Details of the Drug

General Information of Drug (ID: DMSBJ4M)

Drug Name

7-phenyloxyethoxy-2-morpholin-4-yl-chromen-4-one

Synonyms

CHEMBL372804; 7-phenyloxyethoxy-2-morpholin-4-yl-chromen-4-one; SCHEMBL9535095

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)

367.4

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C21H21NO5
IUPAC Name: 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C=C(C=C3)OCCOC4=CC=CC=C4
InChI: InChI=1S/C21H21NO5/c23-19-15-21(22-8-10-24-11-9-22)27-20-14-17(6-7-18(19)20)26-13-12-25-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKey: WZUWDKBMBHSVAZ-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	Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach. J Med Chem. 2005 Dec 1;48(24):7829-46.