broxyquinoline indications/contra

Stem definitionDrug idCAS RN
412 521-74-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • broxyquinoline
  • broxyquinolin
  • dibromoquin
  • dibromoxin
  • dibromoxine
  • dibromoxyquinoline
  • Molecular weight: 302.95
  • Formula: C9H5Br2NO
  • CLOGP: 3.69
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 33.12
  • ALOGS: -3.46
  • ROTB: 0

Drug dosage:

DoseUnitRoute
0.10 g V

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC A07AX01 ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ANTIINFECTIVES
Other intestinal antiinfectives
ATC G01AC06 GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Quinoline derivatives
ATC P01AA01 ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Hydroxyquinoline derivatives

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.55 acidic
pKa2 2.9 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Catechol O-methyltransferase Enzyme IC50 5.39 CHEMBL

External reference:

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IDSource
D07109 KEGG_DRUG
006332 NDDF
CHEMBL223448 ChEMBL_ID
2453 PUBCHEM_CID
C002276 MESH_SUPPLEMENTAL_RECORD_UI
UK4C618C8T UNII
1244 INN_ID

Pharmaceutical products:

None