General Information of Drug (ID: DM15LVG)

Drug Name
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
Synonyms CHEMBL200685; 8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one; SCHEMBL5258643; WPUKKEMHTVGTFK-UHFFFAOYSA-N; BDBM50178081
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-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
Canonical SMILES
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C19H17NO4/c21-14-4-1-3-13(11-14)15-5-2-6-16-17(22)12-18(24-19(15)16)20-7-9-23-10-8-20/h1-6,11-12,21H,7-10H2
InChIKey
WPUKKEMHTVGTFK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11609490
TTD ID
D06TGR

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.