Naproxcinod
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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
- Naproxcinod
- DrugBank Accession Number
- DB06682
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 347.367
Monoisotopic: 347.1368874 - Chemical Formula
- C18H21NO6
- Synonyms
- (S)-2-(6-Methoxy-2-naphthyl)propanoic acid 4-nitrooxybutyl ester
- Naproxcinod
- Naproxcinodum
- Naproxen-N-butyl nitrate
- External IDs
- AR-P900758XX
- AZD 3582
- AZD-3582
- AZD3582
- HCT 3012
- HCT-3012
Pharmacology
- Indication
Investigated for use/treatment in pain (acute or chronic), inflammatory disorders (unspecified), osteoarthritis, and arthritis and arthritic pain.
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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
- ATC Codes
- M01AE18 — Naproxcinod
- Drug Categories
- 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 / Alkyl nitrates / Organic nitro compounds / Organic nitric acids and derivatives / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Organic nitrogen compounds / Hydrocarbon derivatives show 1 more
- Substituents
- Alkyl aryl ether / Alkyl nitrate / Allyl-type 1,3-dipolar organic compound / Anisole / Aromatic homopolycyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Ether / Hydrocarbon derivative show 10 more
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- carboxylic ester, methoxynaphthalene, nitrate ester (CHEBI:76254)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V24GR4LI3I
- CAS number
- 163133-43-5
- InChI Key
- AKFJWRDCWYYTIG-ZDUSSCGKSA-N
- InChI
- InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1
- IUPAC Name
- 4-(nitrooxy)butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
- SMILES
- COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)OCCCCO[N+]([O-])=O
References
- General References
- Not Available
- External Links
- KEGG Drug
- D09568
- ChemSpider
- 8060316
- ChEBI
- 76254
- ChEMBL
- CHEMBL2103831
- ZINC
- ZINC000001541804
- Wikipedia
- Naproxcinod
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Osteoarthritis (OA) 2 3 Completed Treatment Osteoarthritis (OA) / Osteoarthritis in the Hip Joint 1 2 Terminated Treatment Neoplasms of the Prostate / Prostate Cancer 1 1 Completed Basic Science Liver Disease 1 1 Completed Basic Science Pharmacokinetics 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
Property Value Source Water Solubility 0.000281 mg/mL ALOGPS logP 3.79 ALOGPS logP 3.72 Chemaxon logS -6.1 ALOGPS pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 87.9 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 91.11 m3·mol-1 Chemaxon Polarizability 36.19 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-1900000000-45fed59082c24141e6c6 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]- 207.0094423 predictedDarkChem Lite v0.1.0 [M-H]- 175.14207 predictedDeepCCS 1.0 (2019) [M+H]+ 207.8967423 predictedDarkChem Lite v0.1.0 [M+H]+ 177.50008 predictedDeepCCS 1.0 (2019) [M+Na]+ 207.8395423 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.59322 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:48 / Updated at June 12, 2020 16:52