Are you looking to accelerate the initial steps of your small molecule drug discovery approach?

Our i2c platform comprises everything needed from hit finding through to the identification of an early development candidate. It is based on a combination of unique and proprietary computer-based screening (vHTS) with sophisticated wet-lab discovery technologies. i2c is designed to identify and optimize lead compounds up to early development candidates or to any other end point during the drug discovery process defined by your specific requirements. Together, 4SC Discovery and Crelux cover the complete range of scientific disciplines needed for today’s drug discovery:

  • Computational Chemistry
  • Structural Biology / Crystallography
  • In vitro screening
  • Medicinal Chemistry
  • Pharmacology
  • Analytical Chemistry


We offer individual services tailor cut to suit our clients’ specific needs. Typical packages are very fast and cost efficient hit finding projects and medchem based hit to lead or lead optimization projects. Speed and efficiency of the entire discovery process benefit from the synergies offered by combining our structural biology capabilities with our in silico screening technology.

Rapid Hit Finding


i2c can deliver hits in a minimum amount of time without the need for costly synthesis programs. Based on either publicly available information or confidential, customer-owned data on a given target or active molecule(s), we apply our proprietary in silico screening technology to our comprehensive database of over 20 million commercially available screening compounds and fragments. Only the most promising compounds will subsequently be tested in our INTRACT screening assays. Protein production for the assays can be performed in parallel, resulting in very short turnaround times.

Should suitable starting information be unavailable, protein production and crystallization of the target in question can be performed first, resulting in the best possible start for the hit finding process.

A subsequent hit validation phase is guided by structural information and will usually lead to first SAR evidence.

Hit to Early Development Candidate


The hits or hit families identified during the hit finding phase are optimised during our medicinal chemistry program, taking into account physicochemical and ADMET properties, activity, selectivity, and IP situation, including first PK studies in rodents. We individually adjust our project teams and their tasks to our customers’ needs, in order to complement the customers’ own capacities in the best possible way.

Throughout the optimization phase, our medicinal chemists are supported by colleagues from all scientific disciplines of the drug discovery process, including structural biologists and computational chemists, resulting in fast optimisation cycles and short turnaround times. Ultimately, the goal is an early development candidate ready to enter formal preclinical animal studies.

Our scientists can draw on many years of experience in successfully bringing drug discovery projects to clinical stage.