YYSW001 JAK1 Inhibitor Preclinical Data with PDB Structure

Comprising structural and pharmacological data for YYSW001, a preferential JAK1 inhibitor with an IC50 of 6 nM and >50-fold selectivity over JAK2. It includes pharmacokinetic data showing 61.8% oral bioavailability and efficacy results from rat collagen-induced arthritis and adjuvant-induced arthritis models. The data is provided in a PDB file format.

Use Cases

• Analyze the JAK1 inhibition IC50 value of 6 nM for structure-activity relationship modeling.
• Compare the >50-fold JAK1/JAK2 selectivity profile to other inhibitors for liability assessment.
• Use the 61.8% oral bioavailability data for pharmacokinetic property prediction.
• Evaluate therapeutic efficacy data from rat collagen-induced arthritis models for preclinical validation.

Strengths

• Includes a specific JAK1 inhibition IC50 value of 6 nM.
• Reports a >50-fold selectivity over JAK2, a key preclinical metric.
• Contains pharmacokinetic data point of 61.8% oral bioavailability.
• Provides efficacy data from two distinct rat arthritis models (CIA and AIA).

Limitations

• The dataset is very small at 550.1 KB, limiting scope and analysis potential.
• No columnar or sample data is provided, making direct computational analysis difficult.
• Data is specific to a single compound (YYSW001), limiting generalizability.

Provenance

Source

figshare, authored by Kaiyong Hu.

Collection Method

Generated from preclinical pharmacological study and compound optimization.

Freshness

Last updated on 2026-03-20.