Fevipiprant

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

Identification

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Name
Fevipiprant
Accession Number
DB12011
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
QAW-039 / QAW039
Categories
UNII
2PEX5N7DQ4
CAS number
872365-14-5
Weight
Average: 426.41
Monoisotopic: 426.086112698
Chemical Formula
C19H17F3N2O4S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
23582412
PubChem Substance
347828329
ChemSpider
32701918
ChEMBL
CHEMBL3137332
HET
FSY
Wikipedia
Fevipiprant
PDB Entries
6d26

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentImpaired Renal Function1
1RecruitingOtherHepatic Impairment1
2CompletedTreatmentAllergic Rhinitis (AR)1
2CompletedTreatmentAsthma Bronchial3
2CompletedTreatmentAtopic Dermatitis (AD)1
2CompletedTreatmentPersistent Asthma1
2Not Yet RecruitingTreatmentAsthma Bronchial1
2Not Yet RecruitingTreatmentAsthma Bronchial / Bronchial Asthma / Eosinophilia / Physiological Effects of Drugs1
2Not Yet RecruitingTreatmentChronic Obstructive Pulmonary Disease (COPD)1
3Active Not RecruitingTreatmentAsthma Bronchial3
3RecruitingTreatmentAsthma Bronchial2

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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Trifluoromethylbenzene / Pyrrolopyridine / Benzenesulfonyl group / Pyridine / Substituted pyrrole / Pyrrole / Heteroaromatic compound / Sulfone / Sulfonyl / Carboxylic acid derivative
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:11 / Updated on June 04, 2019 07:30