Naproxen etemesil
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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
- Naproxen etemesil
- DrugBank Accession Number
- DB12398
- Background
Naproxen etemesil has been used in trials studying the treatment of Osteoarthritis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 336.4
Monoisotopic: 336.103144918 - Chemical Formula
- C17H20O5S
- Synonyms
- Naproxen etemesil
- External IDs
- LT-NS001
- MX-1094
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Not Available
- Direct Parent
- Naphthalenes
- Alternative Parents
- Anisoles / Alkyl aryl ethers / Sulfones / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Alkyl aryl ether / Anisole / Aromatic homopolycyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Ether / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Naphthalene
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 214269U36R
- CAS number
- 385800-16-8
- InChI Key
- JGBUBSOKFSVXKS-LBPRGKRZSA-N
- InChI
- InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1
- IUPAC Name
- 2-methanesulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
- SMILES
- COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)OCCS(C)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25170420
- PubChem Substance
- 347828644
- ChemSpider
- 28528342
- ChEMBL
- CHEMBL2105683
- ZINC
- ZINC000034005963
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Completed Treatment Osteoarthritis (OA) 1 1 Completed Not Available Healthy Volunteers (HV) 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 0.00214 mg/mL ALOGPS logP 2.94 ALOGPS logP 1.81 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 69.67 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 87.69 m3·mol-1 Chemaxon Polarizability 35.25 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-000i-2910000000-7848f57c42288d010d14 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01q0-0597000000-67f81951a437628b626f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0900000000-7ceda7320af9b9c81387 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0910000000-cdcb8334c4180c5ac04f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0wp1-2920000000-fd488272a2f455185196 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ql-4900000000-154ce7da482e13973ea9 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-6920000000-180314c4da2e68a6224d 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]- 197.2875213 predictedDarkChem Lite v0.1.0 [M-H]- 177.76993 predictedDeepCCS 1.0 (2019) [M+H]+ 199.1126213 predictedDarkChem Lite v0.1.0 [M+H]+ 180.12793 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.1367213 predictedDarkChem Lite v0.1.0 [M+Na]+ 186.30223 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:14 / Updated at February 21, 2021 18:53