Rational Optimization of ROCK2 Inhibitors for Pulmonary Fibrosis

A dataset likely contains experimental results from a medicinal chemistry optimization campaign targeting Rho-associated coiled-coil containing protein kinase 2 (ROCK2) inhibitors for pulmonary fibrosis. The data was uploaded by Zhi Cao to figshare on 2026-05-25. It includes measurements such as IC50 values, kinetic solubility, metabolic stability, and in vivo efficacy for a series of compounds.

Use Cases

• Modeling compound potency based on IC50 values mentioned in the description
• Analyzing structure-activity relationships for compounds with disrupted molecular planarity
• Evaluating drug candidate profiles based on solubility and metabolic stability data
• Studying signaling pathway inhibition effects on TGF-β/Smad and ROCK2/STAT3

Strengths

• Includes specific potency measurements (IC50 = 0.0081 μM for compound 39)
• Contains physicochemical property data (kinetic solubility of 77 μg/mL in water)
• Reports in vivo efficacy results from a bleomycin-induced pulmonary fibrosis model

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• The dataset is very small (3.9 KB), indicating limited scope

Provenance

Source

figshare

Collection Method

Likely contains experimental data from a medicinal chemistry research project.

Freshness

Last updated 2026-05-25 13:05:48; freshness should be verified