Details of the Drug

General Information of Drug (ID: DMNHYQ0)

Drug Name

2-morpholin-4-yl-8-styrylchromen-4-one

Synonyms

CHEMBL198476; 2-morpholin-4-yl-8-styrylchromen-4-one; SCHEMBL6357331

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)

333.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H19NO3
IUPAC Name: 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=CC=CC(=C3O2)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C21H19NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2/b10-9+
InChIKey: OLQGOHPEAUHNBE-MDZDMXLPSA-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.