NAV

Fevipiprant

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

Identification

Generic Name
Fevipiprant
DrugBank Accession Number
DB12011
Background

Fevipiprant has been used in trials studying the treatment of Asthma, Atopic Dermatitis, and Allergic Rhinitis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 426.41
Monoisotopic: 426.086112698
Chemical Formula
C19H17F3N2O4S
Synonyms
  • Fevipiprant
External IDs
  • QAW-039
  • QAW039
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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 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.
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 trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Trifluoromethylbenzenes
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Pyrrolopyridines / Benzenesulfonyl compounds / Substituted pyrroles / Pyridines and derivatives / Sulfones / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organonitrogen compounds
show 5 more
Substituents
Alkyl fluoride / Alkyl halide / Aromatic heteropolycyclic compound / Azacycle / Benzenesulfonyl group / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2PEX5N7DQ4
CAS number
872365-14-5
InChI Key
GFPPXZDRVCSVNR-UHFFFAOYSA-N
InChI
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
IUPAC Name
2-(1-{[4-methanesulfonyl-2-(trifluoromethyl)phenyl]methyl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
SMILES
CC1=C(CC(O)=O)C2=CC=CN=C2N1CC1=CC=C(C=C1C(F)(F)F)S(C)(=O)=O

References

General References
Not Available
PubChem Compound
23582412
PubChem Substance
347828329
ChemSpider
32701918
BindingDB
50233520
ChEMBL
CHEMBL3137332
ZINC
ZINC000043101772
PDBe Ligand
FSY
Wikipedia
Fevipiprant
PDB Entries
6d26

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAsthma4
3CompletedTreatmentNasal Polyps1
3TerminatedTreatmentAsthma2
2CompletedTreatmentAllergic Rhinitis (AR)1
2CompletedTreatmentAsthma3

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 Solubility0.00857 mg/mLALOGPS
logP2.87ALOGPS
logP2.27Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.39Chemaxon
pKa (Strongest Basic)3.73Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area89.26 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity100.88 m3·mol-1Chemaxon
Polarizability38.66 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-056r-0000900000-5bf981f43c7665a2b97e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0209000000-40639abd8f12bfa8eee5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05rr-0009700000-f13e18996dab97dd4b68
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03gi-3109000000-953916bf8490f5d62cd4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0944100000-2b94dd77dbfa053f970b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fbd-6966200000-7391112b8ca5b2ad5cca
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]-185.468
predicted
DeepCCS 1.0 (2019)
[M+H]+187.826
predicted
DeepCCS 1.0 (2019)
[M+Na]+194.41524
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:11 / Updated at February 21, 2021 18:53