Ion Channel Library
Designed for discovery of new Ion Channels ligands
30 418 compounds
Ion channels are among the most important therapeutic targets in developing novel medicines, at the same time being ones of the most difficult targets in drug discovery. Ion channels are critical for cell-to-cell communication. They regulate multiple biological processes, dysfunction of which may lead to widespread diseases and pathologic conditions such as diabetes, neuropathic pain, cardiovascular diseases, cerebral and peripheral vascular disorders, asthma, neurodegenerative and other disorders.
We have carefully designed our Ion Channel Library of 30 418 diverse compounds intended to specifically target Ion Channels. All compounds are stored as dry materials and they can be acquired in diverse custom formats. Using our Libraries for hit identification you receive multiple benefits allowing you to save on time and costs in lead generation:
- Dry stock of over 2.6M compounds for hit resupply and hit expansion.
- Straightforward and low-cost synthesis of analogues through our REAL Database technology.
- Medicinal chemistry support enhanced with on-site broad ADME/T panel.
You have also an option to screen the library directly at Enamine. In this case, we will be happy to offer you discount on library cost depending on the collaboration scope.
We applied multipronged approach in rational library design to gain a qualitative set of molecules focused on ion channel targets. A major contribution was made in the lead-oriented synthesis program at Enamine focused on increasing novelty and structural diversity. The project has already yielded 30 418 lead-like compounds built on novel scaffolds featuring saturated rings that have been recognized as potential ion channel blockers. Pharmacophore ligand-based biased analysis was performed on the reference set of over 1 000 highly active ligands (≤10 nM) resulting in three main pharmacophore motifs frequently occurring in reported ligands. Optimized models were used in searching a lead-like part of Enamine Screening Collection and a lead-like part of, REAL database. One of the common features of derived pharmacophores was presence of tertiary/secondary amino group. Additional compounds were added to the library after analysis of privileged motives of known ion channel blockers and after morphing of some recently discovered ion channel and TRPV1 modulators. General Medicinal Chemistry overview finalized the library profile: favorable physicochemical parameters and solubility requirements.