Details of the Drug

General Information of Drug (ID: DMO8WB2)

Drug Name

7-propoxy-2-(morpholin-4-yl)-chromen-4-one

Synonyms

CHEMBL426099; 7-propoxy-2-(morpholin-4-yl)-chromen-4-one; SCHEMBL3537201

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)

289.33

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H19NO4
IUPAC Name: 2-morpholin-4-yl-7-propoxychromen-4-one
Canonical SMILES: CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)N3CCOCC3
InChI: InChI=1S/C16H19NO4/c1-2-7-20-12-3-4-13-14(18)11-16(21-15(13)10-12)17-5-8-19-9-6-17/h3-4,10-11H,2,5-9H2,1H3
InChIKey: RXAXOVGTCLFYCQ-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.