Pyrido[3,2-d]pyrimidine Dual Pim/Mnk Inhibitor Optimization Data

A dataset from medicinal chemistry research details the optimization of 4-aniline substituted pyrido[3,2-d]pyrimidine derivatives as dual Pim/Mnk inhibitors. It contains structural data and measured properties, including IC50 values against Mnk1, Mnk2, and Pim1 kinases, for synthesized compounds. The work, authored by Kun Xing and published in 2026, demonstrates the antileukemia activity of the lead compound 2j.

Use Cases

• Analyze the relationship between compound structure and IC50 values against Mnk1, Mnk2, and Pim1 to identify key pharmacophores.
• Model the pharmacokinetic profile and water solubility of pyrido[3,2-d]pyrimidine derivatives to predict in vivo efficacy.
• Correlate kinase inhibition data with antiproliferative effects in leukemia cell lines to validate the dual-target mechanism.

Strengths

• Includes specific, low-nanomolar IC50 measurements (e.g., 3 nM against Mnk2) for key kinase targets.
• Data supports a published drug discovery project with in vitro and in vivo validation of antileukemia activity.
• Focuses on a novel chemical series (pyrido[3,2-d]pyrimidine core) optimized for dual Pim/Mnk inhibition.

Limitations

• The dataset is very small in size (355.6 KB), indicating limited scope and likely a small number of compounds.
• Data format is PDB, which is specialized for molecular structures and may not be readily usable for tabular analysis without conversion.
• Lacks explicit column definitions or sample data, making the exact data schema and contents unclear.

Provenance

Source

figshare, authored by Kun Xing.

Collection Method

Experimental data from the synthesis and biological evaluation of novel chemical compounds.

Freshness

Last updated in March 2026.