Details of the Drug

General Information of Drug (ID: DMZDP5S)

Drug Name

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

Synonyms

CHEMBL198944; 7-benzoyloxy-2-(morpholin-4-yl)-chromen-4-one; SCHEMBL3534476

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)

351.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H17NO5
IUPAC Name: (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H17NO5/c22-17-13-19(21-8-10-24-11-9-21)26-18-12-15(6-7-16(17)18)25-20(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKey: GIEJDWWZPMOULL-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.