Litoxetine
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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
- Litoxetine
- DrugBank Accession Number
- DB15038
- Background
Litoxetine is under investigation in clinical trial NCT03397771 (DBPC Trial to Evaluate the Safety, Tolerability and Efficacy of Oral Litoxetine in Subjects With Urinary Incontinence).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 241.334
Monoisotopic: 241.146664236 - Chemical Formula
- C16H19NO
- Synonyms
- Litoxetine
Pharmacology
- Indication
Not Available
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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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9980ST005G
- CAS number
- 86811-09-8
- InChI Key
- MJJDYOLPMGIWND-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
- IUPAC Name
- 4-[(naphthalen-2-yl)methoxy]piperidine
- SMILES
- C(OC1CCNCC1)C1=CC=C2C=CC=CC2=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 59087
- BindingDB
- 50278564
- ChEMBL
- CHEMBL471036
- ZINC
- ZINC000000003647
- Wikipedia
- Litoxetine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Completed Treatment Urinary Incontinence (UI) 1
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
Property Value Source Water Solubility 0.00451 mg/mL ALOGPS logP 3.02 ALOGPS logP 2.48 Chemaxon logS -4.7 ALOGPS pKa (Strongest Basic) 10.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 74.23 m3·mol-1 Chemaxon Polarizability 28.32 Å3 Chemaxon Number of Rings 3 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 splash10-0006-0390000000-981a280766637d1db84c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-0940000000-2d8dc99bcf362cc3def7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0190000000-c3db4992b6deeadd806e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1960000000-ed3db650bdd5da3edbef Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-2910000000-65f5713e622da54708e2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-002f-0900000000-fff98ba7c82dd19fd6cf 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]- 166.2045827 predictedDarkChem Lite v0.1.0 [M+H]+ 166.3477827 predictedDarkChem Lite v0.1.0 [M+Na]+ 166.2665827 predictedDarkChem Lite v0.1.0
Drug created at May 20, 2019 14:44 / Updated at February 21, 2021 18:55