Sodium Ion Channel Library

Sodium voltage-gated ion channel considered to be an important component in nociception. Therefore, selective Nav1.7 channel blockers are considered as important novel analgesics.

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Analyzing the structures of recently developed ligands several main features have been identified:

• the most abundant are relatively flat aromatic cores;
• presence of highly polar backbone fragments/moieties (e.g. CONH2, SO2NHR, polar heterocycles, etc);
• compounds lay squarely in the middle of drug-like chemical space.

A set of substructure queries and 2D-fingerprintes based on found common structural motives and pharmacophores was used in searching Enamine screening collection to result in 5 440 compounds after application of medchem filters. The Nav1.7 Targeted Library is rich in compounds bearing saturated backbones that can be often seen in structures of other ion-channel blockers. All compounds meet requirements of Ro5, and 67% compounds are considered lead-like.

Molecular properties