Details of the Drug

General Information of Drug (ID: DMIKSTL)

Drug Name

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

Synonyms

CHEMBL197536; 7-hydroxy-2-(morpholin-4-yl)chromen-4-one; SCHEMBL3533604; ULTRFFGNTUDFJW-UHFFFAOYSA-N; BDBM50178123

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)

247.25

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C13H13NO4
IUPAC Name: 7-hydroxy-2-morpholin-4-ylchromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C=C(C=C3)O
InChI: InChI=1S/C13H13NO4/c15-9-1-2-10-11(16)8-13(18-12(10)7-9)14-3-5-17-6-4-14/h1-2,7-8,15H,3-6H2
InChIKey: ULTRFFGNTUDFJW-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.