isuzinaxib   Click here for help

GtoPdb Ligand ID: 11985

Synonyms: APX-115 | APX115 | EWHA-18278 (free base)
Compound class: Synthetic organic
Comment: Isuzinaxib (APX-115) is a first-in-class pan-NADPH oxidase (NOX) inhibitor [1]. We show the chemical structure for the free base, but it is generally delivered as the hydrochloride salt. Isuzinaxib was designed to reduce cellular oxidative stress and tissue injury caused by imbalanced reactive oxygen species (ROS) production in pathological condtions. NADPH oxidases (NOX1-5, DUOX1 and DUOX2) are the major sources of ROS. The effects of pan-NOX inhibition by isuzinaxib can be compared with the effects of the dual NOX1/NOX4 inhibitor setanaxib (GKT137831) [2].

COVID-19: ROS production in response to virus infection are known activators that promote apoptosis, lung injury, and inflammation. Isuzinaxib is being evaluated as a clinical agent that may reduce ROS-induced tissue damage in SARS-CoV-2 infected patients.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 50.16
Molecular weight 279.14
XLogP 4.35
No. Lipinski's rules broken 0
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Canonical SMILES CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1
Isomeric SMILES CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1
InChI InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11535 isuzinaxib
Synonyms Click here for help
APX-115 | APX115 | EWHA-18278 (free base)
Database Links Click here for help
CAS Registry No. 1270084-92-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL4650894
GtoPdb PubChem SID 464244126
PubChem CID 51036475
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