This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Polmacoxib
- DrugBank Accession Number
- DB12399
- Background
Polmacoxib has been used in trials studying the treatment of Osteoarthritis, Osteoarthritis, Hip, Osteoarthritis, Knee, Localized Primary Osteoarthritis of Hip, and Localized Primary Osteoarthritis of Knee.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Polmacoxib (DB12399)
- Weight
- Average: 361.39
Monoisotopic: 361.078407336 - Chemical Formula
- C18H16FNO4S
- Synonyms
- Polmacoxib
- External IDs
- CG-100649
- CG100649
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of bleeding and hemorrhage can be increased when Polmacoxib is combined with Abciximab. Acebutolol Polmacoxib may decrease the antihypertensive activities of Acebutolol. Aceclofenac The risk or severity of adverse effects can be increased when Aceclofenac is combined with Polmacoxib. Acemetacin The risk or severity of adverse effects can be increased when Polmacoxib is combined with Acemetacin. Acenocoumarol The risk or severity of bleeding and hemorrhage can be increased when Polmacoxib is combined with Acenocoumarol. Acetaminophen The risk or severity of adverse effects can be increased when Acetaminophen is combined with Polmacoxib. Acetohexamide The protein binding of Acetohexamide can be decreased when combined with Polmacoxib. Acetylsalicylic acid The risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Polmacoxib. Alclofenac The risk or severity of adverse effects can be increased when Polmacoxib is combined with Alclofenac. Alendronic acid The risk or severity of adverse effects can be increased when Polmacoxib is combined with Alendronic acid. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- ATC Codes
- M01AH07 — Polmacoxib
- Drug Categories
- Amides
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Antiinflammatory and Antirheumatic Products
- Antiinflammatory and Antirheumatic Products, Non-Steroids
- COX-2 Inhibitors
- Cyclooxygenase Inhibitors
- Musculo-Skeletal System
- Selective Cyclooxygenase 2 Inhibitors (NSAIDs)
- Sulfones
- Sulfur Compounds
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Stilbenes
- Sub Class
- Not Available
- Direct Parent
- Stilbenes
- Alternative Parents
- Benzenesulfonamides / Benzenesulfonyl compounds / Fluorobenzenes / Organosulfonamides / Furanones / Aryl fluorides / Vinylogous esters / Aminosulfonyl compounds / Cyclic ketones / Oxacyclic compounds show 4 more
- Substituents
- 3-furanone / Aminosulfonyl compound / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Benzenesulfonamide / Benzenesulfonyl group / Benzenoid / Carbonyl group / Cyclic ketone show 21 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IJ34D6YPAO
- CAS number
- 301692-76-2
- InChI Key
- IJWPAFMIFNSIGD-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
- IUPAC Name
- 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl]benzene-1-sulfonamide
- SMILES
- CC1(C)OC(=C(C1=O)C1=CC=CC(F)=C1)C1=CC=C(C=C1)S(N)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9841854
- PubChem Substance
- 347828645
- ChemSpider
- 8017569
- ChEMBL
- CHEMBL166863
- ZINC
- ZINC000000589683
- PDBe Ligand
- 949
- Wikipedia
- Polmacoxib
- PDB Entries
- 5gmm / 5gmn
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Localized Primary Osteoarthritis of Hip / Localized Primary Osteoarthritis of Knee 1 2 Completed Treatment Osteoarthritis (OA) 1 2 Unknown Status Treatment Osteoarthritis in the Hip Joint / Osteoarthritis of the Knee 1 1 Completed Treatment Healthy Subjects (HS) 4 1 Terminated Treatment Healthy Subjects (HS) 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 0.00269 mg/mL ALOGPS logP 3.16 ALOGPS logP 2.94 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 10.09 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 86.46 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 92.73 m3·mol-1 Chemaxon Polarizability 35.46 Å3 Chemaxon Number of Rings 3 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 Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:14 / Updated at February 21, 2021 18:53