This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Esflurbiprofen is an NSAID formulated as a topical product for osteoarthritis associated joint pain and inflammation.
- Generic Name
- Esflurbiprofen
- DrugBank Accession Number
- DB16159
- Background
Esflurbiprofen is under investigation in clinical trial NCT03434197 (Safety and Efficacy of SFPP in Knee Osteoarthritis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Esflurbiprofen (DB16159)
- Weight
- Average: 244.265
Monoisotopic: 244.089957822 - Chemical Formula
- C15H13FO2
- Synonyms
- Esflurbiprofen
- Flurbiprofen, (s)-
- External IDs
- BTS 24332
- BTS-24332
Pharmacology
- Indication
Not Available
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Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Symptomatic treatment of Joint inflammation •••••••••••• ••••• Symptomatic treatment of Joint pain •••••••••••• ••••• - Contraindications & Blackbox Warnings
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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
Products
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Categories
- ATC Codes
- M02AA29 — Esflurbiprofen
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J5ZZK9P7MX
- CAS number
- 51543-39-6
- InChI Key
- SYTBZMRGLBWNTM-JTQLQIEISA-N
- InChI
- InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
- IUPAC Name
- (2S)-2-{2-fluoro-[1,1'-biphenyl]-4-yl}propanoic acid
- SMILES
- C[C@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1
References
- General References
- NPRA: Locoa (Esflurbiprofen) Transdermal Patch [Link]
- External Links
- ChemSpider
- 65084
- BindingDB
- 50172479
- ChEBI
- 42446
- ChEMBL
- CHEMBL435298
- ZINC
- ZINC000000000323
- PDBe Ligand
- FLP
- PDB Entries
- 1cqe / 1dvt / 1eqh / 1r9o / 2ayl / 3n8w / 3n8z / 3pgh / 4for / 4jtq … show 1 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Osteoarthritis, Knee Pain 1 2 Completed Treatment Contusions / Muscle Strain / Soft Tissue Injury / Sprains 1 2 Terminated Treatment Ankle Sprains 1 1 Completed Other Comparative Bioavailability 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Patch Transdermal - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0249 mg/mL ALOGPS logP 3.57 ALOGPS logP 3.94 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 4.42 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 67.29 m3·mol-1 Chemaxon Polarizability 25.28 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 splash10-0002-0090000000-424c67c5e1067b544806 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0900000000-70f2b37cc9220d44e92a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004j-0900000000-c17b40aee887dc7ddd31 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0900000000-bcd4d06362cd86a145cc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0900000000-d1189adbba54237e1c77 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00b9-0900000000-9cd769028fbbfd6b7c5a 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]- 156.67506 predictedDeepCCS 1.0 (2019) [M+H]+ 159.03307 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.89684 predictedDeepCCS 1.0 (2019)
Drug created at December 15, 2020 18:14 / Updated at May 05, 2021 20:32