NAV

Fenpyroximate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Fenpyroximate
DrugBank Accession Number
DB16164
Background

Fenpyroximate is under investigation in clinical trial NCT02533336 (The Effectiveness of Non-pyrethroid Insecticide-treated Durable Wall Liners as a Method for Malaria Control in Endemic Rural Tanzania).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 421.497
Monoisotopic: 421.200156361
Chemical Formula
C24H27N3O4
Synonyms
  • Fenpryroximate
  • Fenpyroximate (z,e)
  • Fujimite
  • Sequel
External IDs
  • HOE-555-02A
  • NNI-850
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9W557V4RYA
CAS number
134098-61-6
InChI Key
YYJNOYZRYGDPNH-MFKUBSTISA-N
InChI
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
IUPAC Name
tert-butyl 4-({[(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene]amino]oxy}methyl)benzoate
SMILES
CN1N=C(C)C(\C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1

References

General References
Not Available
KEGG Compound
C11098
ChemSpider
7850857
ChEBI
5011
ChEMBL
CHEMBL365100
ZINC
ZINC000001532155

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedPreventionMalaria1

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 Solubility0.00163 mg/mLALOGPS
logP5.25ALOGPS
logP5Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)2.57Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area74.94 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity130.38 m3·mol-1Chemaxon
Polarizability46.94 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0039100000-a6042a351b1c1858bb06
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0h70-0913700000-0cf439dbea6f002fec7c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0139000000-f36cf05d190c74fb085a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08mi-3439500000-c44ac4bef9f4873b7253
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gx0-4590000000-0fff3d3a67a809d35c10
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052p-4931000000-05690fb6209d16510fe1
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]-218.3757489
predicted
DarkChem Lite v0.1.0
[M-H]-198.38849
predicted
DeepCCS 1.0 (2019)
[M+H]+218.7588489
predicted
DarkChem Lite v0.1.0
[M+H]+200.74649
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.97829
predicted
DeepCCS 1.0 (2019)

Drug created at December 15, 2020 18:14 / Updated at December 20, 2020 03:38