Benzoselenazinone Anti-TB Drug Candidates with MIC and IC50 Data

Yang Liu published a dataset on figshare in April 2026 detailing the discovery of benzoselenazinone compounds as DprE1 inhibitors for tuberculosis treatment. The dataset likely contains tabular data on compound derivatives, including measurements of anti-TB activity (MIC), cytotoxicity (Vero IC50), and DprE1 inhibition (IC50). It also includes pharmacokinetic properties such as oral bioavailability for a lead compound.

Use Cases

• Training QSAR models based on reported MIC and IC50 values for anti-TB activity.
• Analyzing structure-activity relationships for selenium-containing scaffolds compared to sulfur analogs.
• Screening for preclinical candidates based on combined efficacy (MIC) and safety (cytotoxicity) metrics.
• Comparing pharmacokinetic properties like oral bioavailability across compound series.

Strengths

• Specific quantitative metrics are reported, such as MICs < 0.03 μM and DprE1 IC50s < 0.1 μM.
• Includes comparative pharmacokinetic data (oral bioavailability F% = 31.9%) for a lead compound versus a reference.
• Data is focused on a novel, well-defined chemical scaffold (benzoselenazinones) with a clear design rationale.

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 (5.1 KB), indicating limited scope or a summary-level dataset.

Provenance

Source

Yang Liu via figshare.

Collection Method

Likely contains experimental results from a medicinal chemistry study.

Time Range

Temporal coverage of the underlying study is not specified.

Freshness

Last updated 2026-04-17 17:36:45; freshness should be verified.

Geography

Spatial coverage is not specified.