Details of the Drug

General Information of Drug (ID: DMMCAZG)

Drug Name

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

Synonyms

CHEMBL425391; 8-biphenyl-2-yl-2-morpholin-4-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)

383.4

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C25H21NO3
IUPAC Name: 2-morpholin-4-yl-8-(2-phenylphenyl)chromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4C5=CC=CC=C5
InChI: InChI=1S/C25H21NO3/c27-23-17-24(26-13-15-28-16-14-26)29-25-21(11-6-12-22(23)25)20-10-5-4-9-19(20)18-7-2-1-3-8-18/h1-12,17H,13-16H2
InChIKey: VKLCRMQPVMPSKE-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.