SelenoCanns: Seleno-Cannabinoid Compounds with CB1 Receptor Binding Affinity

A collection of novel seleno-cannabinoid agents, labeled SelenoCanns, synthesized via a programmable platform. The dataset likely contains chemical structures and binding affinity data for compounds targeting the cannabinoid receptor-1 (CB1R). Malliga R. Iyer authored this dataset, which was last updated on 2026-04-28.

Use Cases

• Predicting CB1 receptor binding affinity based on selenosulfonyl homologated compound structures.
• Training models for de novo design of bioactive organoselenium drug-like molecules.
• Analyzing structure-activity relationships for covalent-drug conjugates and seleno-fluorescent probes.

Strengths

• Dataset size is 67.5 MB, indicating a substantial collection of chemical data.
• Compounds were synthesized using a described sustainable platform with a benign selenium source (Na2SeSO3).
• Many compounds showed nanomolar to sub-nanomolar binding affinity for the CB1 receptor, as stated in the description.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Synthesized via a programmable platform for the conversion of chloro-imidoylsulfonylureas.

Freshness

Last updated 2026-04-28 08:05:09; freshness should be verified.