Gefapixant

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

Identification

Name
Gefapixant
Accession Number
DB15097
Description

Gefapixant is under investigation in clinical trial NCT02397460 (Effect of Gefapixant (AF-219/MK-7264) on Cough Reflex Sensitivity).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 353.4
Monoisotopic: 353.115775286
Chemical Formula
C14H19N5O4S
Synonyms
Not Available
External IDs
  • AF-219

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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
Not Available
Classification
Not classified

Chemical Identifiers

UNII
6K6L7E3F1L
CAS number
1015787-98-0
InChI Key
HLWURFKMDLAKOD-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
IUPAC Name
5-[(2,4-diaminopyrimidin-5-yl)oxy]-2-methoxy-4-(propan-2-yl)benzene-1-sulfonamide
SMILES
COC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O

References

General References
Not Available
ChemSpider
58828660
ChEMBL
CHEMBL3716057
ZINC
ZINC000116342482
PDBe Ligand
AF9
Wikipedia
Gefapixant
PDB Entries
5yve

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentChronic Cough (CC)3
3RecruitingTreatmentChronic Cough (CC)1
3RecruitingTreatmentCoughing2
2CompletedTreatmentAsthma1
2CompletedTreatmentChronic Cough (CC)2
2CompletedTreatmentCoughing / Idiopathic Pulmonary Fibrosis (IPF)1
2CompletedTreatmentEndometriosis related pain / Endometriosis-related Pain1
2CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2CompletedTreatmentOsteoarthritis of the Knee1
2CompletedTreatmentRefractory Chronic Cough6

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 Solubility0.503 mg/mLALOGPS
logP0.87ALOGPS
logP0.86ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)9.67ChemAxon
pKa (Strongest Basic)6.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area156.44 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity91.44 m3·mol-1ChemAxon
Polarizability34.62 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:49 / Updated on June 12, 2020 10:53