Details of the Drug

General Information of Drug (ID: DMTB1KV)

Drug Name

2-Morpholin-4-yl-6-phenyl-chromen-4-one

Synonyms

CHEMBL369146; 2-morpholin-4-yl-6-phenyl-chromen-4-one; SCHEMBL3542251

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)

307.3

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H17NO3
IUPAC Name: 2-morpholin-4-yl-6-phenylchromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C=CC(=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H17NO3/c21-17-13-19(20-8-10-22-11-9-20)23-18-7-6-15(12-16(17)18)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKey: FGDAUGYDQLYAKT-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	Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85.