This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Gefapixant
- DrugBank Accession Number
- DB15097
- Background
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
Structure for Gefapixant (DB15097)
- Weight
- Average: 353.4
Monoisotopic: 353.115775286 - Chemical Formula
- C14H19N5O4S
- Synonyms
- Gefapixant
- External IDs
- AF-219
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- ATC Codes
- R05DB29 — Gefapixant
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
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
- External Links
- ChemSpider
- 58828660
- ChEMBL
- CHEMBL3716057
- ZINC
- ZINC000116342482
- PDBe Ligand
- AF9
- Wikipedia
- Gefapixant
- PDB Entries
- 5yve
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Cough (CC) 6 2 Completed Treatment Asthma 1 2 Completed Treatment Chronic Cough (CC) 2 2 Completed Treatment Cough / Idiopathic Pulmonary Fibrosis (IPF) 1 2 Completed Treatment Endometriosis related pain 1 2 Completed Treatment Idiopathic Pulmonary Fibrosis (IPF) 1 2 Completed Treatment Osteoarthritis of the Knee 1 2 Completed Treatment Refractory Chronic Cough 6 2 Terminated Treatment Cough, Acute 1 2 Terminated Treatment Painful Bladder Syndrome (PBS) 1
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
Property Value Source Water Solubility 0.503 mg/mL ALOGPS logP 0.87 ALOGPS logP 0.86 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 9.67 Chemaxon pKa (Strongest Basic) 6.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 156.44 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 91.44 m3·mol-1 Chemaxon Polarizability 34.62 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 14:49 / Updated at February 21, 2021 18:55