Another approach to improve productivity of drug discovery programs is “fragment-based” drug design (FBDD). At the root of this strategy is the observation that “lead” compounds are not always as “drug-like” as the final FDA-approved drug that they precede. Specifically, as initial hits are being optimized, they tend to lead to compounds of higher molecular weight and higher lipophilicity.
At ChemDiv, we can assist you in the rational selection and design of scaffolds and the synthesis of some small series of lead-like fragments around them. The single lead compound is a source for the generation of several fragment series. The compounds chosen for synthesis possess lead-like properties. The fragments selected contain only C, H, N, O, S, P, F, Cl, and Br atoms. Fragments with undesirable properties are eliminated by applying our special medicinal chemistry filters. The fragments selected possess good water solubility (Clog SW > -3.0) required for HCS. Overall, fragments satisfy key features such as diversity, reduced structural complexity, drug-/lead likeness and possess a great potential for “fragment evolution” and “fragment linking”.
Medicinal and Computational Chemistry Dept., ChemDiv, Inc.
12760 High Bluff Dr, San Diego, CA, 92130
Phone: + 1 916 234 0888
Fax: +1 858 794 4931
You can buy this library or customize your own library from our discovery collection of 1 600 000 compounds and 60 000 building blocks.