NAV

Alvelestat

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

Identification

Name
Alvelestat
Accession Number
DB11863
Description

Alvelestat has been investigated for the basic science of Chronic Obstructive Pulmonary Disease.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
3D
Similar Structures
Weight
Average: 545.54
Monoisotopic: 545.134459871
Chemical Formula
C25H22F3N5O4S
Synonyms
  • Alvelestat
External IDs
  • AZD-9668
  • AZD9668

Pharmacology

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
Learn more
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
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
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
Classification
Not classified

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
PubChem Compound
71587812
PubChem Substance
347828201
ChemSpider
30687100
BindingDB
50120430
ChEMBL
CHEMBL3617964
ZINC
ZINC000072316197

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedBasic ScienceBronchiectasis1
2CompletedBasic ScienceChronic Obstructive Pulmonary Disease (COPD)2
2CompletedBasic ScienceCystic Fibrosis (CF)1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)2
2CompletedTreatmentInsulin Resistance / Type 2 Diabetes Mellitus1
2RecruitingTreatmentAlpha 1-Antitrypsin Deficiency / Chronic Obstructive Pulmonary Disease (COPD) / Emphysema1
2RecruitingTreatmentAlpha-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 Mutations1
1CompletedNot AvailableChronic Obstructive Pulmonary Disease (COPD)2
1CompletedBasic ScienceHealthy Volunteers2
1WithdrawnBasic SciencePharmacodynamics / Pharmacokinetics1

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 Solubility0.00275 mg/mLALOGPS
logP2.82ALOGPS
logP1.27ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)12.17ChemAxon
pKa (Strongest Basic)2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area114.26 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity146.4 m3·mol-1ChemAxon
Polarizability52.25 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on October 20, 2016 20:55 / Updated on February 21, 2021 18:53