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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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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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
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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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
InChI Key GIWZEELPLKPYBA-UHFFFAOYSA-N
No information available.
Summary of Clinical Use Click here for help
Isuzinaxib (APX-115) has principally been investigated to determine the clinical benefit of reducing NOX activity in renal pathologies, especially diabetic nephropathy [5].
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04880109 A Phase 2 Study of APX-115 in Hospitalized Patients With Confirmed Mild to Moderate COVID-19. Phase 2 Interventional Aptabio Therapeutics, Inc.
NCT04534439 Safety, Tolerability and Renal Effects of APX-115 in Subjects With Type 2 Diabetes and Nephropathy Phase 2 Interventional Aptabio Therapeutics, Inc.