Funapide
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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
- Funapide
- DrugBank Accession Number
- DB11769
- Background
Funapide has been used in trials studying the treatment of Pharmacokinetics, Postherpetic Neuralgia, and Osteoarthritis of the Knee.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 429.351
Monoisotopic: 429.082407044 - Chemical Formula
- C22H14F3NO5
- Synonyms
- Funapide
- External IDs
- TV 45070
- TV-45070
- TV45070
- XEN 402
- XEN-402
- XEN402
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodioxoles
- Sub Class
- Not Available
- Direct Parent
- Benzodioxoles
- Alternative Parents
- Indoles and derivatives / Coumarans / Alkyl aryl ethers / Benzenoids / Tertiary carboxylic acid amides / Heteroaromatic compounds / Furans / Lactams / Oxacyclic compounds / Acetals show 8 more
- Substituents
- Acetal / Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzodioxole / Carbonyl group / Carboxamide group show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A5595LHJ2L
- CAS number
- 1259933-16-8
- InChI Key
- NEBUOXBYNAHKFV-NRFANRHFSA-N
- InChI
- InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1
- IUPAC Name
- (3S)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,2-dihydro-6',10',12'-trioxaspiro[indole-3,4'-tricyclo[7.3.0.0^{3,7}]dodecane]-1',3'(7'),8'-trien-2-one
- SMILES
- FC(F)(F)C1=CC=C(CN2C(=O)[C@@]3(COC4=C3C=C3OCOC3=C4)C3=CC=CC=C23)O1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 49836093
- PubChem Substance
- 347828122
- ChemSpider
- 34500834
- BindingDB
- 206760
- ChEMBL
- CHEMBL3707218
- ZINC
- ZINC000113473392
- Wikipedia
- Funapide
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Osteoarthritis of the Knee 1 2 Completed Treatment Postherpetic Neuralgia 1 1 Completed Other Pharmacokinetics 1 1 Completed Treatment Hallux Valgus (Bunions) / Postoperative pain 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 0.0341 mg/mL ALOGPS logP 3.58 ALOGPS logP 3.45 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) -3.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 61.14 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 100.35 m3·mol-1 Chemaxon Polarizability 38.49 Å3 Chemaxon Number of Rings 6 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 splash10-0f72-1894600000-91ec85a4a7835a449304 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-a76c9ab4f34df306d38c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-281a71fabc4ca6512619 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-113e8458c28413d334fd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-a69729c9111fec917ca3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0f8l-0397800000-b6bc2bc4780e64b78f1d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f79-0914600000-b2e453d05a9d9cf592a5 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]- 192.05055 predictedDeepCCS 1.0 (2019) [M+H]+ 194.44612 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.49385 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:46 / Updated at September 12, 2023 18:32