Funapide

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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Contraindications & Blackbox Warnings
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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
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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
PubChem Compound
49836093
PubChem Substance
347828122
ChemSpider
34500834
BindingDB
206760
ChEMBL
CHEMBL3707218
ZINC
ZINC000113473392
Wikipedia
Funapide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOsteoarthritis of the Knee1
2CompletedTreatmentPostherpetic Neuralgia1
1CompletedOtherPharmacokinetics1
1CompletedTreatmentHallux Valgus (Bunions) / Postoperative pain1

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
PropertyValueSource
Water Solubility0.0341 mg/mLALOGPS
logP3.58ALOGPS
logP3.45Chemaxon
logS-4.1ALOGPS
pKa (Strongest Basic)-3.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area61.14 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity100.35 m3·mol-1Chemaxon
Polarizability38.49 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0f72-1894600000-91ec85a4a7835a449304
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0000900000-a76c9ab4f34df306d38c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-281a71fabc4ca6512619
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0000900000-113e8458c28413d334fd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-a69729c9111fec917ca3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f8l-0397800000-b6bc2bc4780e64b78f1d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-0914600000-b2e453d05a9d9cf592a5
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.05055
predicted
DeepCCS 1.0 (2019)
[M+H]+194.44612
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.49385
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:46 / Updated at September 12, 2023 18:32