Single Pharmacophore Fragments

Fragments for easy-to-analyse protein-ligand interaction

1 500 compounds

Recently, it was proposed that fragments with a single pharmacophore (i. e. polar group or other moiety for binding to a protein) have advantages over those with multiple, distally separated functional groups. This design approach is believed to maximize the advantages of FBDD, first of all through increasing synthetic capabilities of the fragment growth at the hit follow-up step. Applying these guidelines, we have created a library of single pharmacophore fragments.

Key features:

  • All the compounds pass both strict “ Ro2-like” physicochemical and most stringent in-house structural filters excluding PAINS, highly reactive and toxic motifs.
  • High variety of both pharmacophores and scaffolds bearing them
  • Rapid follow-up/fragment growth using both readily available in-stock and synthetic analogs from Enamine Fragments, Screening Collection and REAL Database

Examples of the molecules in the library

Molecular Properties


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