Details of the Drug

General Information of Drug (ID: DM5J6IT)

Drug Name

2-morpholino-4H-benzo[g]chromen-4-one

Synonyms

CHEMBL175883; 503467-97-8; 2-morpholino-4H-benzo[g]chromen-4-one; SCHEMBL3536668; CTK1G6923; DTXSID10465904; BDBM50159668; 2-Morpholin-4-yl-benzo[g]chromen-4-one; 4H-Naphtho[2,3-b]pyran-4-one, 2-(4-morpholinyl)-

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)

281.3

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H15NO3
IUPAC Name: 2-morpholin-4-ylbenzo[g]chromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=CC4=CC=CC=C4C=C3O2
InChI: InChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2
InChIKey: FKURMCWOGPDJSJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11437483
CAS Number: 503467-97-8
TTD ID: D0U7WU

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)

MIA Detail

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.