Second-Generation RARα Antagonist for Male Contraception: Compound 23 Data

A 2026 dataset from figshare by Rui Shi details the development of a selective RARα antagonist for male contraception. It includes information on the discovery of compound 23, a highly potent and selective inhibitor with an IC50 of 0.051 nM and >1650-fold selectivity over RARβ. The data covers the compound's ADMET properties, oral bioavailability, and contraceptive efficacy in mice.

Use Cases

• Analyze structure-activity relationships (SAR) based on benzopyran, benzofuran, and benzothiophene-derived inhibitors described.
• Evaluate drug potency and selectivity profiles based on the reported IC50 and selectivity fold values.
• Study ADMET and pharmacokinetic properties for orally bioavailable drug candidates.
• Investigate the spatial distribution of a drug candidate in tissues using imaging mass spectrometry data.
• Model the relationship between drug dose and spermatogenesis recovery based on the described minimum effective dose and recovery timeline.

Strengths

• Includes a highly potent compound (IC50 = 0.051 nM) with quantified selectivity (>1650-fold over RARβ, >1960-fold over RARγ).
• Reports specific in vivo efficacy metrics, including a minimum effective dose between 0.3 and 1 mg/kg/day in mice.
• Describes a complete recovery of sperm counts after drug cessation, indicating reversibility.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Data is limited to a single, highly specific research project on one compound series.

Provenance

Source

figshare, author Rui Shi.

Collection Method

Likely contains results from medicinal chemistry design, SAR studies, and in vivo pharmacological testing.

Freshness

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