ARN25699 and ARN26646: Amino-Pyrazole-Based Multikinase Inhibitors for Alzheimer's Disease

A computational and X-ray crystallography-driven structure-activity relationship exploration led to the discovery of amino-pyrazole-based multikinase inhibitors. The dataset, authored by Stefania Demuro and last updated in April 2026, contains structural data for compounds targeting GSK-3β, FYN, and DYRK1A kinases involved in tau pathology. It includes the promising lead compounds ARN25699 and ARN26646, which were characterized for their ADME profile and efficacy in an in vitro tau phosphorylation assay.

Use Cases

• Train predictive models for kinase inhibitor activity based on the described structure-activity relationship exploration.
• Benchmark computational docking simulations against the X-ray crystallography data mentioned.
• Analyze polypharmacological profiles for compounds targeting GSK-3β, FYN, and DYRK1A simultaneously.

Strengths

• Includes data for specific lead compounds ARN25699 and ARN26646, which outperformed single-target inhibitors in testing.
• Data generation involved X-ray crystallography, suggesting high-resolution structural information.
• The dataset is associated with a published research approach for a defined therapeutic area.

Limitations

• The dataset is very small at 337.0 KB, indicating limited scope.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Computational and X-ray crystallography-driven structure-activity relationship exploration.

Freshness

Last updated 2026-04-29 18:08:28; freshness should be verified.