Identification
- Generic Name
- Felbinac
- DrugBank Accession Number
- DB07477
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Felbinac (DB07477)
- Weight
- Average: 212.2439
Monoisotopic: 212.083729628 - Chemical Formula
- C14H12O2
- Synonyms
- Felbinac
- External IDs
- CL 83,544
- LJC 10,141
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.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Pain caused by soft tissue injury ••• ••• ••• Treatment of Rheumatic pain ••• ••• ••• Treatment of Arthritic pain ••• ••• ••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCathepsin L1 Not Available Humans - 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 softwareAceclofenac The risk or severity of adverse effects can be increased when Aceclofenac is combined with Felbinac. Acemetacin The risk or severity of adverse effects can be increased when Felbinac is combined with Acemetacin. Acetylsalicylic acid The risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Felbinac. Alclofenac The risk or severity of adverse effects can be increased when Felbinac is combined with Alclofenac. Aminophenazone The risk or severity of adverse effects can be increased when Aminophenazone is combined with Felbinac. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- M02AA08 — Felbinac
- Drug Categories
- Acids, Carbocyclic
- Agents causing hyperkalemia
- Agents that produce hypertension
- Analgesics
- Analgesics, Non-Narcotic
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Antiinflammatory Preparations, Non-Steroids for Topical Use
- Antirheumatic Agents
- Musculo-Skeletal System
- Nephrotoxic agents
- Non COX-2 selective NSAIDS
- Peripheral Nervous System Agents
- Sensory System Agents
- Topical Products for Joint and Muscular Pain
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Biphenyls and derivatives
- Direct Parent
- Biphenyls and derivatives
- Alternative Parents
- Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aromatic homomonocyclic compound / Biphenyl / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- monocarboxylic acid, biphenyls (CHEBI:31597)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 94WNJ5U8L7
- CAS number
- 5728-52-9
- InChI Key
- QRZAKQDHEVVFRX-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
- IUPAC Name
- 2-{[1,1'-biphenyl]-4-yl}acetic acid
- SMILES
- OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 3332
- PubChem Substance
- 99443948
- ChemSpider
- 3215
- BindingDB
- 223312
- 262307
- ChEBI
- 31597
- ChEMBL
- CHEMBL413965
- ZINC
- ZINC000000002318
- PharmGKB
- PA166049177
- PDBe Ligand
- BP4
- Wikipedia
- Felbinac
- PDB Entries
- 1mhw / 7b8j / 7nbc
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Gel Topical 4.88 % Gel Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0372 mg/mL ALOGPS logP 3.49 ALOGPS logP 3.26 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 4.71 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 62.5 m3·mol-1 Chemaxon Polarizability 23.13 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
Property Value Probability Human Intestinal Absorption + 0.9952 Blood Brain Barrier + 0.947 Caco-2 permeable + 0.867 P-glycoprotein substrate Non-substrate 0.7845 P-glycoprotein inhibitor I Non-inhibitor 0.9335 P-glycoprotein inhibitor II Non-inhibitor 0.9454 Renal organic cation transporter Non-inhibitor 0.9085 CYP450 2C9 substrate Non-substrate 0.7588 CYP450 2D6 substrate Non-substrate 0.9385 CYP450 3A4 substrate Non-substrate 0.7859 CYP450 1A2 substrate Non-inhibitor 0.7126 CYP450 2C9 inhibitor Non-inhibitor 0.9382 CYP450 2D6 inhibitor Non-inhibitor 0.9501 CYP450 2C19 inhibitor Non-inhibitor 0.9468 CYP450 3A4 inhibitor Non-inhibitor 0.9806 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8959 Ames test Non AMES toxic 0.9702 Carcinogenicity Non-carcinogens 0.5856 Biodegradation Not ready biodegradable 0.5248 Rat acute toxicity 2.8081 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9725 hERG inhibition (predictor II) Non-inhibitor 0.9402
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0390000000-a42a74f8bbc32c015be8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-02t9-0980000000-e00ba70197183737c07f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03xr-0790000000-53d95a05654978950b74 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0910000000-56073ef7a999f5ad60fb Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-1910000000-752e4057ca44d71171e4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0900000000-08ec61ef75c05a0b1747 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]- 159.3975633 predictedDarkChem Lite v0.1.0 [M-H]- 145.5627 predictedDeepCCS 1.0 (2019) [M+H]+ 147.95827 predictedDeepCCS 1.0 (2019) [M+Na]+ 153.90993 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serpin family protein binding
- Specific Function
- Important for the overall degradation of proteins in lysosomes.
- Gene Name
- CTSL
- Uniprot ID
- P07711
- Uniprot Name
- Cathepsin L1
- Molecular Weight
- 37563.97 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at September 15, 2010 21:22 / Updated at February 21, 2021 18:52