Dual Pim/Mnk Kinase Inhibitor Optimization Data for Leukemia

This dataset contains experimental data from the optimization of 4-aniline substituted pyrido[3,2-d]pyrimidine derivatives as dual Pim/Mnk kinase inhibitors. It includes synthesized compounds with measured IC50 values against Mnk1, Mnk2, and Pim1 kinases, along with associated antiproliferative effects, solubility, and pharmacokinetic profiles. The data supports the development of compound 2j, a novel inhibitor with demonstrated in vivo antileukemia activity in MOLM-13 xenograft models.

Use Cases

• Analyze the correlation between IC50 values for Mnk1, Mnk2, and Pim1 to assess compound selectivity profiles.
• Model the relationship between pharmacokinetic profile data and in vivo antileukemia effects for lead compound optimization.
• Compare antiproliferative effects and apoptosis induction data across synthesized compounds to identify structure-activity relationships.
• Use water solubility and pharmacokinetic data to predict the drug-likeness of novel pyrido[3,2-d]pyrimidine derivatives.

Strengths

• Includes specific, low-nanomolar IC50 values (e.g., 3 nM against Mnk2) for key kinase targets.
• Contains multi-faceted data covering kinase inhibition, cell-based antiproliferative effects, and in vivo pharmacokinetics.
• Data is associated with a specific, promising lead compound (2j) validated in xenograft models.

Limitations

• The dataset is very small at 2.3 KB, indicating limited scope and likely a small number of compounds or data points.
• Specific column structure, row count, and sample data are unavailable, limiting immediate analytical utility.
• Data is focused on a single chemical series (pyrido[3,2-d]pyrimidine derivatives), restricting broader chemical space analysis.

Provenance

Source

figshare, authored by Kun Xing.

Collection Method

Experimental data from the synthesis and biological evaluation of optimized kinase inhibitor compounds.

Freshness

Last updated March 24, 2026.