Details of the Drug

General Information of Drug (ID: DMMXAEN)

Drug Name

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

Synonyms

CHEMBL95298; 7-benzyloxy-2-(morpholin-4-yl)-chromen-4-one; SCHEMBL3536307; BDBM50178028; 7-Benzyloxy-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)

337.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H19NO4
IUPAC Name: 2-morpholin-4-yl-7-phenylmethoxychromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C20H19NO4/c22-18-13-20(21-8-10-23-11-9-21)25-19-12-16(6-7-17(18)19)24-14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
InChIKey: KUCJYOZKCJHLND-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.