SelenoCanns: Novel Seleno-Cannabinoid Compounds with CB1 Receptor Binding Affinity

A collection of novel selenosulfonyl homologated compounds, termed SelenoCanns, bearing cannabinoid receptor-1 recognition motifs. The dataset, authored by Malliga R. Iyer and shared on figshare, contains molecular structures synthesized via a one-pot platform using Na2SeSO3 as a benign selenium source. Many of the discovered chemotypes show nanomolar to sub-nanomolar binding affinity for the CB1 receptor.

Use Cases

• Virtual screening for drug candidates based on novel seleno-cannabinoid chemotypes.
• Structure-activity relationship (SAR) modeling based on CB1 receptor binding affinity data.
• Designing covalent-drug conjugates or click handles based on the described seleno-homologation platform.

Strengths

• Compounds were synthesized using a reported sustainable, aqueous platform with a benign selenium source.
• Binding affinity for the CB1 receptor is reported at the nanomolar to sub-nanomolar level for many compounds.

Limitations

• Dataset size is only 8.0 KB, indicating a very limited scope of molecular structures.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Target-oriented synthesis via a programmable chemical platform.

Freshness

Last updated 2026-04-28 08:05:18; freshness should be verified.