nitroxoline Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
quinoline derivatives 1954 4008-48-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • nitroxoline
  • nitroxolin
  • noxibiol
  • 5-Nitro-8-oxychinoline
  • Molecular weight: 190.16
  • Formula: C9H6N2O3
  • CLOGP: 2.08
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 78.94
  • ALOGS: -1.84
  • ROTB: 1

Drug dosage:

DoseUnitRoute
1 g O

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC J01XX07 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER ANTIBACTERIALS
Other antibacterials
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000892 Anti-Infective Agents, Urinary
MeSH PA D000935 Antifungal Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.0 acidic
pKa2 2.46 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Prostaglandin G/H synthase 2 Enzyme Ki 6 CHEMBL
Cathepsin B Enzyme Ki 4.40 CHEMBL
Methionine aminopeptidase 2 Enzyme IC50 7.26 CHEMBL
Bromodomain-containing protein 4 Unclassified IC50 6.01 CHEMBL
Catechol O-methyltransferase Enzyme IC50 4.70 CHEMBL

External reference:

IDSource
D07245 KEGG_DRUG
C0068881 UMLSCUI
HNQ PDB_CHEM_ID
CHEMBL1454910 ChEMBL_ID
DB01422 DRUGBANK_ID
19910 PUBCHEM_CID
1833 INN_ID
C005308 MESH_SUPPLEMENTAL_RECORD_UI
A8M33244M6 UNII
31901 RXNORM
005384 NDDF
703481003 SNOMEDCT_US
703482005 SNOMEDCT_US

Pharmaceutical products:

None