NAV

Tilbroquinol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Tilbroquinol
DrugBank Accession Number
DB13222
Background

Tilbroquinol was approved in France, Morocco, and Saudi Arabia but it has been withdrawn in France and Saudi Arabia markets mainly due to its hepatotoxicity risk outweighing the drug benefit 1. In Morocco, the drug has been limited to use in the treatment of intestinal amoebiasis.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 238.084
Monoisotopic: 236.978927
Chemical Formula
C10H8BrNO
Synonyms
  • Tilbroquinol
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
P01AA30 — Tilbroquinol and tiliquinolP01AA05 — Tilbroquinol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Haloquinolines
Direct Parent
Haloquinolines
Alternative Parents
8-hydroxyquinolines / O-bromophenols / Pyridines and derivatives / Aryl bromides / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organobromides
show 1 more
Substituents
2-bromophenol / 8-hydroxyquinoline / Aromatic heteropolycyclic compound / Aryl bromide / Aryl halide / Azacycle / Benzenoid / Haloquinoline / Heteroaromatic compound / Hydrocarbon derivative
show 8 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
P6SB125NHA
CAS number
7175-09-9
InChI Key
JMOVFFLYGIQXMM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BrNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3
IUPAC Name
7-bromo-5-methylquinolin-8-ol
SMILES
CC1=C2C=CC=NC2=C(O)C(Br)=C1

References

General References
  1. Pharmaceuticals: Restrictions in Use and Availability -2001 [Link]
ChemSpider
59034
RxNav
166718
ChEBI
134965
ChEMBL
CHEMBL1788385
ZINC
ZINC000000002170
Wikipedia
Tilbroquinol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.299 mg/mLALOGPS
logP3.11ALOGPS
logP3.11Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.84Chemaxon
pKa (Strongest Basic)4.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area33.12 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity54.62 m3·mol-1Chemaxon
Polarizability20.4 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-052r-0290000000-7855ee038371bb2576bb
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-d15743c7780bf47adc86
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0190000000-bede6e93fd2ad61005cd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-a7e91099d89859d7466d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0550-5490000000-a002af881c491f07ae15
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001r-1910000000-54a2ec1d67620435764d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-9500000000-289e0e36d3d4c47da40b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-134.06151
predicted
DeepCCS 1.0 (2019)
[M+H]+136.52296
predicted
DeepCCS 1.0 (2019)
[M+Na]+144.21101
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54