Details of the Drug

General Information of Drug (ID: DMLANGY)

Drug Name

8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one

Synonyms

CHEMBL200517; 8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.3

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H17NO4
IUPAC Name: 8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)O
InChI: InChI=1S/C19H17NO4/c21-14-6-4-13(5-7-14)15-2-1-3-16-17(22)12-18(24-19(15)16)20-8-10-23-11-9-20/h1-7,12,21H,8-11H2
InChIKey: WSNZUFRPSRSILZ-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]

------------------------------------------------------------------------------------

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.