Design and Discovery of Pyridazinone-Based MAT2A Inhibitors for MTAP-Deficient Cancers

Yu Zhang's dataset on figshare, last updated April 2026, contains data related to the design and optimization of a novel series of pyridazinone-based MAT2A inhibitors. The description reports a lead compound with an IC50 of 17.5 nM and a cellular GI50 of 0.76 μM in HCT-116 MTAP KO cells, along with in vivo pharmacokinetic and efficacy data from an NCI-H838 xenograft model. The dataset is shared under a CC-BY-NC-4.0 license.

Use Cases

• Training predictive models for compound potency based on reported IC50 and GI50 values.
• Analyzing structure-activity relationships (SAR) for pyridazinone scaffolds.
• Studying the correlation between in vitro inhibition and in vivo antitumor efficacy in xenograft models.
• Benchmarking pharmacokinetic properties of novel MAT2A inhibitors.

Strengths

• Includes specific, quantitative biological activity metrics (IC50 = 17.5 nM, GI50 = 0.76 μM).
• Reports in vivo pharmacokinetic and efficacy data from a defined xenograft model (NCI-H838).
• Dataset is shared under a clear, open license (CC-BY-NC-4.0).

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small in size (779.3 KB), indicating a limited scope of data.

Provenance

Source

figshare, author Yu Zhang.

Collection Method

Likely contains experimental data from iterative structure-activity relationship (SAR) studies and in vivo testing.

Time Range

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Freshness

Last updated 2026-04-23 17:37:02; freshness should be verified.

Geography

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