The SciLifeLab Compound Collection originates from the pharmaceutical industry (Biovitrum, Karobio, Orexo/Biolipox, KDev) and has been developed and expanded with compounds from various commercial compound vendors. The available screening collections are spanning from chemically diverse sets to approved drugs (Prestwick) and pharmacological tool compounds (from Astra Zeneca, the Structural Genomics Center (SGC) and vendors as ENZO, Tocris, Selleck). The Primary Screening Set comprises ~35K compounds that are chemically diverse and have lead- to drug-like properties with respect to parameters such as molecular weight, hydrogen bond accepting and donating groups, lipophilicity and polar surface area. Filters addressing reactivity, PAINs and aggregation issues have been applied to assure tractable hit compounds. Various focused sets are also available such as kinase-, GPCRs- and PPI-targeted compounds.
The collection also comprises a unique set - NACC – the National Academic Compound Collection. The Chemical Biology Consortium Sweden, CBCS, participates in a project establishing a collection of compounds that chemists all over Sweden synthesize or purify from natural sources as part of their research. These compounds populate unique regions of chemical space that in many cases have not yet been explored and therefore are of high interest for screening.