NAV

Edivoxetine

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

Identification

Generic Name
Edivoxetine
DrugBank Accession Number
DB09184
Background

Edivoxetine is a drug which acts as a selective norepinephrine reuptake inhibitor and is currently under development by Eli Lilly for attention-deficit hyperactivity disorder (ADHD) and as an antidepressant treatment. Edivoxetine failed to be approved for major depressive disorder after phase III clinical trials in 2012.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 339.407
Monoisotopic: 339.184586484
Chemical Formula
C18H26FNO4
Synonyms
  • Edivoxetine
External IDs
  • LY-2216684
  • LY2216684
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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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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Edivoxetine is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Edivoxetine is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Edivoxetine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Edivoxetine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Edivoxetine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Edivoxetine hydrochlorideCP012282EU1194374-05-4WJDKGRLMNSHPON-CJRXIRLBSA-N

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 / Alkyl aryl ethers / Aralkylamines / Fluorobenzenes / Oxanes / Morpholines / Aryl fluorides / Tertiary alcohols / 1,3-aminoalcohols
show 7 more
Substituents
1,3-aminoalcohol / Alcohol / Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3W9N3F4JOO
CAS number
1194508-25-2
InChI Key
CPBHSHYQQLFAPW-ZWKOTPCHSA-N
InChI
InChI=1S/C18H26FNO4/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3/t17-,18+/m0/s1
IUPAC Name
(1R)-2-(5-fluoro-2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-(oxan-4-yl)ethan-1-ol
SMILES
[H][C@]1(CNCCO1)[C@@](O)(CC1=C(OC)C=CC(F)=C1)C1CCOCC1

References

General References
Not Available
PubChem Compound
11186829
PubChem Substance
310265092
ChemSpider
9361913
ChEMBL
CHEMBL2103857
ZINC
ZINC000038342901
Wikipedia
Edivoxetine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentMajor Depressive Disorder (MDD)6
2CompletedTreatmentMajor Depressive Disorder (MDD)2
2, 3CompletedTreatmentAttention Deficit Hyperactivity Disorder (ADHD)1
2, 3CompletedTreatmentMajor Depressive Disorder (MDD)1
2, 3TerminatedTreatmentAttention Deficit Hyperactivity Disorder (ADHD)1

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 Solubility0.247 mg/mLALOGPS
logP1.42ALOGPS
logP1.36Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.4Chemaxon
pKa (Strongest Basic)8.14Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area59.95 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity88.63 m3·mol-1Chemaxon
Polarizability35.19 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-0006-0009000000-50b45002ad583cb11837
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0249000000-c59fc32ada6bcb44a0a5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-1319000000-dd2197b211a9f77bd9c4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-9568000000-c9b017f7be81f9fad6ba
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-1942000000-35720e7f238c906488c7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q0-4941000000-869cb4cfc85640050d40
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]-175.65858
predicted
DeepCCS 1.0 (2019)
[M+H]+178.01659
predicted
DeepCCS 1.0 (2019)
[M+Na]+184.74522
predicted
DeepCCS 1.0 (2019)

Drug created at October 16, 2015 19:12 / Updated at February 02, 2024 22:52