Details of the Drug

General Information of Drug (ID: DMAK0P3)

Drug Name

8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one

Synonyms

CHEMBL197218; 8-(4-acetylphenyl)-2-morpholin-4-ylchromen-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)

349.4

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H19NO4
IUPAC Name: 8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
Canonical SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=CC3=C2OC(=CC3=O)N4CCOCC4
InChI: InChI=1S/C21H19NO4/c1-14(23)15-5-7-16(8-6-15)17-3-2-4-18-19(24)13-20(26-21(17)18)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3
InChIKey: OEHLKVQEMZKDOJ-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.