Details of the Drug

General Information of Drug (ID: DMTYWCS)

Drug Name

6-(4-hydroxyphenyl)-2-morpholino-4H-chromen-4-one

Synonyms

CHEMBL371103

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)

323.3

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H17NO4
IUPAC Name: 6-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C=CC(=C3)C4=CC=C(C=C4)O
InChI: InChI=1S/C19H17NO4/c21-15-4-1-13(2-5-15)14-3-6-18-16(11-14)17(22)12-19(24-18)20-7-9-23-10-8-20/h1-6,11-12,21H,7-10H2
InChIKey: JERFBKBQDMCBEI-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.