CompoundCollection

“…it looks like a pretty clean library with a reasonable amount of similarity to our in-house library” – Large US biotech company

“In our analysis your compound collection scores very well, always #1 or #2 according to 5 parameters critically important to us: complementarity to our in-house collection, chemical alerts, physicochemical properties, kinase focus, and GPCR focus.” – Client at Galápagos NV

“Around 20% of compounds in libraries from other CROs are flagged by our internal filters. For the Exquiron library, less than 5% of the compounds get flagged” – Medium-sized US biotech company

“The library on the whole looks well assembled, kudos on that” – Large US biotech company

Aptuit Screening Collection
Our screening library comprises >400,000 highly lead-like compounds, carefully selected with a focus on diversity, quality and novelty. Our in-depth experience in selecting compounds for screening libraries, combined with filters assembled by leading medicinal chemists, resulted in very stringent lead-like criteria which were applied to commercially available compound collections to distill out the best compounds. All compounds from the Aptuit Collection fully comply with the Oprea rules of lead-likeness, and lack undesirable and promiscuous moieties (e.g. PAINS). The favorable Fsp3 distribution (fraction of sp3 carbon atoms) indicates an enrichment in non-planar compounds.

Details about how we select subsets from the Aptuit Collection are shown in the in silico drug discovery section.

Screening-ready compound plates
Clients who prefer not to source the assay to Exquiron can still benefit from the high quality and broad diversity of the Aptuit Collection. We select compounds, jointly with the client, which will be provided in assay-ready format. We have experience in shipping internationally, and will fully support the client to ensure resupply of interesting and active compounds for follow-on activities, or to evaluate data and jointly decide on hit calling criteria.