Details of the Drug

General Information of Drug (ID: DMZDP5S)

Drug Name
7-benzoyloxy-2-(morpholin-4-yl)-chromen-4-one
Synonyms CHEMBL198944; 7-benzoyloxy-2-(morpholin-4-yl)-chromen-4-one; SCHEMBL3534476
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) 351.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H17NO5
IUPAC Name
(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate
Canonical SMILES
C1COCCN1C2=CC(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H17NO5/c22-17-13-19(21-8-10-24-11-9-21)26-18-12-15(6-7-16(17)18)25-20(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKey
GIEJDWWZPMOULL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11508573
ChEBI ID
CHEMBL198944
TTD ID
D02PBS
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.