Discovery and Optimization of 4-Methylquinazoline Derivatives as PI3Kδ Inhibitors

A 4.2 KB dataset published by Deyu Wu on figshare in May 2026. It contains data on a novel series of 4-methylquinazoline derivatives designed as potent and selective PI3Kδ inhibitors for treating acute lung injury. The dataset likely includes chemical structures, potency measurements, and selectivity data for the synthesized compounds.

Use Cases

• Training predictive models for PI3Kδ inhibitor potency based on chemical structure features mentioned in the description.
• Analyzing structure-activity relationships (SAR) for quinazoline derivatives.
• Benchmarking selectivity profiles of novel compounds against other PI3K isoforms.

Strengths

• Data is focused on a specific, novel chemical scaffold (4-methylquinazoline derivatives).
• Lead compound exhibits single-digit nanomolar potency and high selectivity, as described.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Likely contains experimental data from structure-based drug design, synthesis, and in vitro/in vivo testing.

Freshness

Last updated 2026-05-24 13:08:33; freshness should be verified.