alvelestat

Ligand id: 6476

Name: alvelestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 122.64
Molecular weight 545.13
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
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
International Nonproprietary Names
INN number INN
9391 alvelestat
Synonyms
AZD 9668
AZD-9668
AZD9668
KB-105160
Database Links
CAS Registry No. 848141-11-7 (source: Scifinder)
PubChem CID 46861623
Search Google for chemical match using the InChIKey QNQZWEGMKJBHEM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QNQZWEGMKJBHEM
Search PubMed clinical trials alvelestat
Search PubMed titles alvelestat
Search PubMed titles/abstracts alvelestat
Comments
AZD9668 is a potent, selective and reversible inhibitor of human neutrophil elastase. It was developed as having the potential to be effective for neutrophil-driven inflammatory lung diseases, such as bronchiectasis and COPD [2]. Since the phase II studies did not show clear efficacy for COPD this compound is now listed in the AstraZeneca Open Innovation Clinical Compound Bank for repurposing proposals.

There is ambiguity on PubChem in the assigned nomenclature and stuctures for this compound, as CID 71587812 has been incorrectly assigned alvelestat as a synonym.