Nisoxetine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Nisoxetine
- DrugBank Accession Number
- DB09186
- Background
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.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 271.36
Monoisotopic: 271.15722892 - Chemical Formula
- C17H21NO2
- Synonyms
- nisoxetina
- Nisoxetine
- External IDs
- LY-94939
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism USodium-dependent serotonin transporter Not Available Humans - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Nisoxetine is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when Nisoxetine is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Nisoxetine. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Nisoxetine. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Nisoxetine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic homomonocyclic compound / Ether / Hydrocarbon derivative / Methoxybenzene / Monocyclic benzene moiety / Organic nitrogen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- aromatic ether, secondary amino compound (CHEBI:73410)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 17NV064B2D
- CAS number
- 53179-07-0
- 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
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
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
Property Value Source Water Solubility 0.012 mg/mL ALOGPS logP 3.69 ALOGPS logP 3.14 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) 9.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 30.49 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 80.86 m3·mol-1 Chemaxon Polarizability 30.66 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-5910000000-28004175093ef554598a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0kft-1900000000-81ee918ff2ee70a29b54 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-2900000000-9133b974ca2434a78f69 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000f-6900000000-e7ccc4516726c51a916d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-4900000000-b93cd9e88e017f103d84 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-053u-2910000000-72a9d284ed06ce836d28 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.09676 predictedDeepCCS 1.0 (2019) [M+H]+ 164.45474 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.54788 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsSodium-dependent serotonin transporter
- 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
- Zhou J: Norepinephrine transporter inhibitors and their therapeutic potential. Drugs Future. 2004 Dec;29(12):1235-1244. [Article]
Drug created at October 16, 2015 19:24 / Updated at February 21, 2021 18:52