Nisoxetine

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

Identification

Name
Nisoxetine
Accession Number
DB09186
Type
Small Molecule
Groups
Experimental
Description

Nisoxetine is a selective norepinephrine reuptake inhibitor (SNRI) developed in the 1970s. It was originally investigated as an antidepressant but has no current clinical applications aside from being a research standard SNRI. It has been used to research obesity and energy balance, and exerts some local analgesia effects.

Structure
Thumb
Synonyms
  • nisoxetina
  • Nisoxetine
External IDs
LY-94939
Categories
UNII
17NV064B2D
CAS number
53179-07-0
Weight
Average: 271.36
Monoisotopic: 271.15722892
Chemical Formula
C17H21NO2
InChI Key
ITJNARMNRKSWTA-UHFFFAOYSA-N
InChI
InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
IUPAC Name
[3-(2-methoxyphenoxy)-3-phenylpropyl](methyl)amine
SMILES
CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
USodium-dependent serotonin transporterNot AvailableHumans
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
Toxicity
Not Available
Affected organisms
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
(R)-warfarinThe risk or severity of adverse effects can be increased when Nisoxetine is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of adverse effects can be increased when Nisoxetine is combined with (S)-Warfarin.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Nisoxetine is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Nisoxetine.
4-hydroxycoumarinThe risk or severity of adverse effects can be increased when Nisoxetine is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Nisoxetine.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Nisoxetine is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Nisoxetine.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of adverse effects can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Nisoxetine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Nisoxetine is combined with Acenocoumarol.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D05173
PubChem Compound
4500
PubChem Substance
310265094
ChemSpider
4344
BindingDB
22417
ChEBI
73410
ChEMBL
CHEMBL295467
Wikipedia
Nisoxetine

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.012 mg/mLALOGPS
logP3.69ALOGPS
logP3.14ChemAxon
logS-4.4ALOGPS
pKa (Strongest Basic)9.8ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area30.49 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity80.86 m3·mol-1ChemAxon
Polarizability30.66 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Anisoles
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds / Methoxybenzenes / Aralkylamines / Alkyl aryl ethers / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Phenoxy compound / Anisole / Methoxybenzene / Alkyl aryl ether / Aralkylamine / Monocyclic benzene moiety / Secondary aliphatic amine / Secondary amine / Ether / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
aromatic ether, secondary amino compound (CHEBI:73410)

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Serotonin:sodium symporter activity
Specific Function
Serotonin transporter whose primary function in the central nervous system involves the regulation of serotonergic signaling via transport of serotonin molecules from the synaptic cleft back into t...
Gene Name
SLC6A4
Uniprot ID
P31645
Uniprot Name
Sodium-dependent serotonin transporter
Molecular Weight
70324.165 Da
References
  1. Zhou J: Norepinephrine transporter inhibitors and their therapeutic potential. Drugs Future. 2004 Dec;29(12):1235-1244. [PubMed:16871320]

Drug created on October 16, 2015 13:24 / Updated on March 01, 2020 20:32

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