RARα Antagonist Compound 23: Structure and Activity Data for Male Contraception

300.6 KB of data on benzopyran-, benzofuran-, and benzothiophene-derived RARα inhibitors for male contraception. The dataset includes SAR studies leading to compound 23, a highly potent and selective antagonist with an IC50 of 0.051 nM, published by Rui Shi on figshare in May 2026. Compound 23 is described as orally bioavailable and effective in reducing sperm counts in mice.

Use Cases

• Train models to predict RARα inhibitor potency based on structural features mentioned in the SAR studies.
• Analyze structure-activity relationships for benzopyran, benzofuran, and benzothiophene derivatives.
• Evaluate ADMET properties and selectivity profiles for potential drug candidates.

Strengths

• Includes data on a highly potent compound with a specific IC50 of 0.051 nM.
• Reports selectivity metrics (>1650-fold over RARβ and >1960-fold over RARγ).
• Describes in vivo efficacy with a minimum effective dose between 0.3 and 1 mg/kg/day in mice.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Data may reflect experimental bias inherent to the specific research project.

Provenance

Source

Rui Shi via figshare.

Collection Method

Likely contains results from chemical synthesis, SAR analysis, and in vivo testing.

Freshness

Last updated 2026-05-11 11:06:04; freshness should be verified.