Pyrido[3,2-d]pyrimidine Derivatives as Dual Pim/Mnk Inhibitors

This dataset contains structural and biochemical data on a series of pyrido[3,2-d]pyrimidine derivatives optimized as dual Pim and Mnk kinase inhibitors. It includes synthesized compounds with reported IC50 values against Mnk1, Mnk2, and Pim1 kinases, as well as data on antiproliferative effects in leukemia cell lines. The data originates from a medicinal chemistry study by Kun Xing, published on figshare in 2026.

Use Cases

• Analyze the relationship between pyrido[3,2-d]pyrimidine core modifications and reported IC50 values against Mnk1, Mnk2, and Pim1 kinases.
• Model the correlation between kinase inhibition data (IC50) and antiproliferative effects observed in leukemia cell lines like MOLM-13.
• Use structural data from PDB files to investigate molecular features linked to improved water solubility and pharmacokinetic profiles noted for compound 2j.

Strengths

• Includes specific, low nanomolar IC50 values (e.g., 3 nM against Mnk2) for key compounds.
• Provides data from multiple experimental assays, including kinase inhibition, cell proliferation, and in vivo xenograft studies.
• Dataset is focused on a novel, optimized chemical series with demonstrated antileukemia activity.

Limitations

• The dataset is very small in size (347.0 KB), indicating limited scope and likely a small number of compounds.
• Data format (PDB) suggests a primary focus on molecular structures, with potentially limited accompanying tabular or quantitative data.
• The dataset is derived from a single research study, which may limit generalizability.

Provenance

Source

figshare

Collection Method

Experimental data from medicinal chemistry synthesis and biological evaluation.

Freshness

Last updated in 2026.