Details of the Drug

General Information of Drug (ID: DMXM2G7)

Drug Name

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

Synonyms

CHEMBL196920; 7-ethyloxyethoxy-2-morpholin-4-yl-chromen-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)

319.4

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C17H21NO5
IUPAC Name: 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one
Canonical SMILES: CCOCCOC1=CC2=C(C=C1)C(=O)C=C(O2)N3CCOCC3
InChI: InChI=1S/C17H21NO5/c1-2-20-9-10-22-13-3-4-14-15(19)12-17(23-16(14)11-13)18-5-7-21-8-6-18/h3-4,11-12H,2,5-10H2,1H3
InChIKey: ICGVDPFEKFHPNV-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	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.