Details of the Drug

General Information of Drug (ID: DMC1TWI)

Drug Name

2-morpholin-4-yl-8-naphthalen-2-ylchromen-4-one

Synonyms

CHEMBL200340; 2-morpholin-4-yl-8-naphthalen-2-ylchromen-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)

357.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H19NO3
IUPAC Name: 2-morpholin-4-yl-8-naphthalen-2-ylchromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C23H19NO3/c25-21-15-22(24-10-12-26-13-11-24)27-23-19(6-3-7-20(21)23)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14-15H,10-13H2
InChIKey: OYLGZUQUTITVHN-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.