This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Alvelestat
- DrugBank Accession Number
- DB11863
- Background
Alvelestat has been investigated for the basic science of Chronic Obstructive Pulmonary Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Alvelestat (DB11863)
- Weight
- Average: 545.54
Monoisotopic: 545.134459871 - Chemical Formula
- C25H22F3N5O4S
- Synonyms
- Alvelestat
- External IDs
- AZD-9668
- AZD9668
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
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6Y5629322X
- CAS number
- 848141-11-7
- InChI Key
- QNQZWEGMKJBHEM-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)
- IUPAC Name
- N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
- SMILES
- CN1N=CC=C1C1=C(C)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=C1)C(=O)NCC1=NC=C(C=C1)S(C)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 71587812
- PubChem Substance
- 347828201
- ChemSpider
- 30687100
- BindingDB
- 50120430
- ChEMBL
- CHEMBL3617964
- ZINC
- ZINC000072316197
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Basic Science Bronchiectasis 1 2 Completed Basic Science Chronic Obstructive Pulmonary Disease (COPD) 2 2 Completed Basic Science Cystic Fibrosis (CF) 1 2 Completed Treatment Alpha-1 Antitrypsin Deficiency (AATD) / Chronic Obstructive Pulmonary Disease (COPD) / Emphysema 1 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 2 2 Completed Treatment Resistance, Insulin / Type 2 Diabetes Mellitus 1 2 Recruiting Treatment Alpha-1 Antitrypsin Deficiency (AATD) / Emphysema or COPD / Pi*ZZ, Pi*SZ, Pi*Null, Another Rare Phenotype/Genotype Known to be Associated With Either Low or Functionally Impaired AAT Including F or I Mutations 1 1 Completed Not Available Chronic Obstructive Pulmonary Disease (COPD) 2 1 Completed Basic Science Healthy Subjects (HS) 2 1 Withdrawn Basic Science Pharmacodynamics / Pharmacokinetics 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 0.00275 mg/mL ALOGPS logP 2.82 ALOGPS logP 1.27 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 12.17 Chemaxon pKa (Strongest Basic) 2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 114.26 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 146.4 m3·mol-1 Chemaxon Polarizability 52.25 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at October 20, 2016 20:55 / Updated at February 21, 2021 18:53