Compound Library Sets

A quality of a screening library has a crucial importance for success of a drug discovery project. Lead-like compounds are an ideal starting point for such purpose allowing final compounds to remain in drug-like space.

Representative acids have a potential use as peptidomimetics (e.g. RGD), ligands for specific GPCRs (e.g. S1P), Bile receptors in the gut, etc. The set contains unique carboxylic acids with lead-like profiles.

Representative amines have a perspective in the modulation of ion channels GPCRs. There are contains unique primary and secondary amines with lead-like profiles in this set.

A fast growth of peptidomimetics has encouraged FCH Group to create a representative set of unnatural amino acids. The compounds in this set have lead-like profiles and are a good starting point for a research where unnatural amino acids might be molecules of interest.

This diversity set represents screening compound library by FCH Group, which covers a broad chemical space.

Fragment-based drug discovery (FBDD) has been a tool for discovering new lead compounds. FBDD develops rapidly: two drugs have already been approved and more than thirty drug candidates have entered the clinic. The library is thought to be a valuable starting point for any FBDD related project.

¹⁹F NMR-based fragment screening has been a method for searching for new F-containing fragment hits. The method is also widely employed as a tool for probing a structure–activity relationship (SAR) in the hit-to-lead pathway. Understanding its significance, chemists at FCH Group have created fluorine fragment library containing molecules with a single-type fluorine group.

Fragment-like molecules with a high content of sp³-hybridized carbon atoms have been widely employed in recent fragment-based drug discovery projects because «escape from flatland» principle has had a significant influence on searching for new hits. This “high Fsp³” library consists of fragments with mostly saturated carbon atoms.

Recent reports have suggested more strict than “rule of 3” criteria for fragment libraries to effectively afford hits. A “special selection” library of molecules that meet these strict criteria is offered.

There are two sets of polar fragments: primary and secondary amines and carboxylic acids. The presence of carboxylic or amino group may serve as a good starting point for growing a fragment to lead molecule.

Here you can find a collection of unnatural amino acids, which have a potential usage in mimicking peptide bonds or the PPI studies. All compounds meet the “rule of 3”.