Details of the Drug

General Information of Drug (ID: DMXM2G7)

Drug Name
7-ethyloxyethoxy-2-morpholin-4-yl-chromen-4-one
Synonyms CHEMBL196920; 7-ethyloxyethoxy-2-morpholin-4-yl-chromen-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) 319.4
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H21NO5
IUPAC Name
7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one
Canonical SMILES
CCOCCOC1=CC2=C(C=C1)C(=O)C=C(O2)N3CCOCC3
InChI
InChI=1S/C17H21NO5/c1-2-20-9-10-22-13-3-4-14-15(19)12-17(23-16(14)11-13)18-5-7-21-8-6-18/h3-4,11-12H,2,5-10H2,1H3
InChIKey
ICGVDPFEKFHPNV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11529823
ChEBI ID
CHEMBL196920
TTD ID
D0P4MU
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.