NAV

Fabomotizole

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

Identification

Generic Name
Fabomotizole
DrugBank Accession Number
DB13623
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 307.41
Monoisotopic: 307.135448102
Chemical Formula
C15H21N3O2S
Synonyms
  • Fabomotizole
External IDs
  • CM-346
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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.
DrugInteraction
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Fabomotizole.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Fabomotizole.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Fabomotizole.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Fabomotizole.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Fabomotizole.
Food Interactions
Not Available

Categories

ATC Codes
N05BX04 — Fabomotizole
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzimidazoles
Sub Class
Not Available
Direct Parent
Benzimidazoles
Alternative Parents
Phenol ethers / Alkylarylthioethers / Alkyl aryl ethers / Morpholines / Imidazoles / Heteroaromatic compounds / Trialkylamines / Sulfenyl compounds / Oxacyclic compounds / Dialkyl ethers
show 2 more
Substituents
Alkyl aryl ether / Alkylarylthioether / Amine / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Azole / Benzenoid / Benzimidazole / Dialkyl ether
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0F8K1X115C
CAS number
173352-21-1
InChI Key
WWNUCVSRRUDYPP-UHFFFAOYSA-N
InChI
InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)
IUPAC Name
5-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole
SMILES
CCOC1=CC=C2NC(SCCN3CCOCC3)=NC2=C1

References

General References
Not Available
ChemSpider
8038633
ChEBI
135309
ChEMBL
CHEMBL3707307
ZINC
ZINC000023139484
Wikipedia
Fabomotizole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentGeneralized Anxiety Disorder1

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 Solubility0.178 mg/mLALOGPS
logP2.28ALOGPS
logP2.31Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)10.79Chemaxon
pKa (Strongest Basic)6.67Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area50.38 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity85.71 m3·mol-1Chemaxon
Polarizability34.94 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-afc76016613bf7cf9f45
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0550-9157000000-1536f64b12304fcfeb79
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0129000000-ef234decfe7a520324f6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-07ef-1922000000-d92346a207fe54fe4ca3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01x3-0930000000-0d75293e3fc675d08e89
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-07fu-2910000000-aacae8e748330abce186
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]-178.7791306
predicted
DarkChem Lite v0.1.0
[M-H]-169.03026
predicted
DeepCCS 1.0 (2019)
[M+H]+180.1384306
predicted
DarkChem Lite v0.1.0
[M+H]+171.38826
predicted
DeepCCS 1.0 (2019)
[M+Na]+179.0922306
predicted
DarkChem Lite v0.1.0
[M+Na]+177.48141
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54