Compound Collections

When selecting a compound collection for screening purposes, quality and diversity are both key features for success and hallmarks of Axxam’s libraries, consisting of a total of approximatively 400.000 small molecules.

 Axxam library of 325.000 compounds

~ 325.000 compounds

 Symegold library of 80.000 compounds

~ 75.000 compounds

These innovative libraries have been assembled by incorporating compounds with structural and molecular properties suitable for hit discovery and hit-to-lead programs, avoiding unwanted reactive chemical groups, frequent hitters, toxicophores, aggregators and other undesirables. The goal was to ensure that the resulting screening hits be readily tractable starting points for further optimization.

AXXDIV4.0 library

The AXXDIV4.0 library consists of around 325.000 drug-like and lead-like small molecules whose selection was built on Axxam’s broad screening expertise, with significant input given by the company’s team of medicinal and computational chemists. The collection consists of four independent screening sets, with no overlap, accessible separately or in combination according to your project’s needs.

Discovery set of 180.000 compounds
  • Around 179.000 lead-like molecules
  • Mean of 15 analogues for each chemotype
  • Provides structure–activity relationship (SAR) information
Explorer PLUS set of 98.000 compounds
  • Approximately 98.000 lead-like singletons 
  • High coverage of diversity
  • Ideal for novel peripheral and central targets
CNS set of 35.000 compounds
  • Around 35.000 lead-like singletons
  • Characterized by optimized MPO scores
    (giving a higher probability of blood-brain barrier or cellular permeability)
  • Specifically biased for CNS and intracellular targets
Probe set of 12.000 compounds
  • Approximately 12.000 decorated fragment-like compounds
  • Characterized by low molecular weight
  • Ideal starting point for structure-enabled programs
The compound selection has been driven by quality and structural diversity from a trusted commercial source, that has building blocks available to speed up hit expansion and optimization processes.

The AXXDIV4.0 collection is available for screening at Axxam, where several measurement technologies are available (including luminescence, fluorescence intensity, time-resolved fluorescence (TR-FRET), radiometric screen, high-content screen, and electrophysiology), or as “screening ready plates” in 384- or 1536-well format for Client’s in-house activities.

Symegold library

The Symegold library is accessible for screening at Axxam thanks to our strategic alliance with Symeres, a leading contract research organization offering innovative medicinal, synthetic and development chemistry, as well as ADME-Tox among its services.

The Symegold collection is composed of approximatively 75.000 lead-like compounds synthesized at Symeres as part of the European Lead Factory (ELF) IMI-2 consortium, using state-of-the-art parallel synthesis and purification platforms. The library covers a lead-like diversity space not available in existing commercial libraries. The design criteria for preparing this novel and unique compound collection were based on diverse lead-like properties and structural novelty, using Symeres proprietary, rigid, sp3-rich scaffolds synthesized in house via innovative chemistries.

Symegold library of 80.000 compounds

Related Content:

Axxam screening platforms

Click here to know more about Axxam’s screening platforms

Click here to download the flyer of the compound collections