Details of the Drug

General Information of Drug (ID: DMD3OV8)

Drug Name
4-hydroxy-8-nitro-3-phenylquinolin-2(1H)-one
Synonyms CHEMBL377646; 4-hydroxy-8-nitro-3-phenylquinolin-2(1H)-one; SCHEMBL4456699; BDBM50189477; 2(1H)-Quinolinone, 4-hydroxy-8-nitro-3-phenyl-
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) 282.25
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H10N2O4
IUPAC Name
4-hydroxy-8-nitro-3-phenyl-1H-quinolin-2-one
Canonical SMILES
C1=CC=C(C=C1)C2=C(C3=C(C(=CC=C3)[N+](=O)[O-])NC2=O)O
InChI
InChI=1S/C15H10N2O4/c18-14-10-7-4-8-11(17(20)21)13(10)16-15(19)12(14)9-5-2-1-3-6-9/h1-8H,(H2,16,18,19)
InChIKey
XWRIMEVQDODFAZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54737904
TTD ID
D0BY6E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid synthase (FASN) TT7AOUD FAS_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 3-Aryl-4-hydroxyquinolin-2(1H)-one derivatives as type I fatty acid synthase inhibitors. Bioorg Med Chem Lett. 2006 Sep 1;16(17):4620-3.