Accelerate and advance your medicine R&D process with our Compound Libraries

Pyxis embraces the concept of scaffold-based chemical space exploration

This library design approach offers several advantages over alternative methods of chemical space enrichment as it is easy to combine with existing machine learning and statistical modelling algorithms and chemistry process automation. All Pyxis scaffolds are drug-like and synthetically tractable, featuring Fsp3-rich linkers and ring-systems found in known drugs or natural products. The peripheral building blocks can be attached to the core scaffold in a step-by-step fashion using well-validated protocols of parallel chemistry.

Macrocyclic ChemSpace

3-tier ChemSpace:

  • 10,000 Off-the-shelf molecules have been pre-synthesised in 1mg quantity ready-to-ship in up to 10 micromoles in Greiner or Labcyte acoustic plates.
  • 1,000,000 Synthesis-on-demand molecules, which will be syntehsized and ready for shipment in three days.
  • 1,000,000,000 Fully enumerated synthetically feasible Macrocyclic ChemSpace

At Pyxis, our expert team and advanced systems support drug discovery with tailored solutions for early-stage needs. Let’s discuss how our custom compound libraries can enhance your projects.

10,000 Macrocyclic ChemSpace

A collection of in-stock available diverse macrocycles in a convenient pre-plated format.
Specification: 10,000 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

1,000,000 Macrocyclic ChemSpace

Ready to be synthesized within 3 days a collection of diverse macrocycles available in a convenient pre-plated format.
Specification: 1,000,000 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

1,000,000,000 Macrocyclic ChemSpace

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Macrocycles for CNS

At Pyxis we are motivated to address the present challenges of CNS drug discovery by providing researchers with access to our uniquely designed CNS macrocycles. By bridging the gap between traditional small-molecules and their larger analogs this screening collection opens multiple opportunities to modulate CNS targets that are impossible to approach with traditional modalities. The CNS-like properties of Pyxis macrocycles come as a combination of excellent solubility and cellular permeability as predicted by credible computational models and proved experimentally. The variety of macrocyclic shapes, scaffolding and solubilizing elements orchestrate unparalleled diversity of the resulting chemical space, while keeping the mostly important CNS-likeness parameters under control

CNS Screening Library

A collection of in-stock available diverse macrocycles in a convenient pre-plated format.
Specification: 2870 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

Macrocycles as Molecular Glues

The ability of small molecules to modulate cellular biology by engaging multiple targets creates exiting opportunities for the development of novel and efficient therapeutics modalities known as “molecular glues”. Several natural product macrocyclic compounds have proven to be efficient molecular glues with remarkable therapeutic potential. At Pyxis we recognize the value of scaffold-based macrocyclic compounds as a source of truly novel chemistry for unbiased molecular glue screening initiatives. The diversity-oriented macrocyclic library is designed to probe non-traditional binding sites, including protein-protein interactions and shallow and extended pockets which often govern biomolecular interaction. Synthetic feasibility and hit-to lead optimization tractability provide additional advantages for molecular glue hunters in pursuit of finding credible starting points for drug discovery. The tangible virtual space of Pyxis diversity macrocycles is enormous encompassing millions of entities and is constantly growing. The ready-to-screen subset is available in pre-plated format in 96-well plate formats.

MG Screening Library

A collection of in-stock available diverse molecular glues and protein degraders in a convenient pre-plated format. Specification: 1277 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

Macrocycles for Covalent Drug Discovery

Pyxis has developed a screening library of Cysteine-oriented electrophilic macrocycles by creatively combining thousands of macrocyclic intermediates with selected electrophilic carboxylic acids. In the resulting covalent macrocycles both macrocyclic core and war head elements can determine the affinity to the target. The bifunctional nature of Pyxis macrocyclic intermediates creates opportunity for systemic SAR exploration of the electronic effects of electrophilic groups and as well as guiding favorable orientation of these groups in the binding site. The balanced hydrophilic-lipophilic properties in combination with chemical stability make Pyxis covalent macrocycles a promising tool for probing challenging targets where non-macrocyclic compounds proved to be less efficient. Preliminary computational proof-of-concept experiments validate the potential of this library as a valuable source of truly unique and novel leads for targeting challenging targets.

 

Macrocyclic Covalent Library

On demand synthesis library with 4 weeks turnaround cycle. Specification: 13948 compounds, 2 umol dry, Purity 90% (UHPLC-MS)

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