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Selcia fragment library

The Selcia Fragment Library (SFL) consists presently of approximately 1,500 compounds that have been carefully selected based on the following criteria


  • Rule-of-3 criteria
  • Calculated and measured solubility >1mM
  • Quality control ≥95% purity
  • CLogP 0-3
  • MW <300 (Mostly <250)
  • 9-15 heavy atoms
  • Polar Surface Area <90
  • H bond donors =<3; H bond acceptors =<5
  • At least 1 H bond donor or acceptor
  • Rotatable bonds =<5; rings not >7 member
  • Chemically expandable, near neighbours available
  • Attractive to Medicinal Chemistry expansion
  • Diversity in chemical space
  • Low overlap with other commercial libraries
  • 20% of compounds form substructures of marketed drugs

 

Diversity Analysis

Majority of compounds are singletons. Clusters generated using MOE with a Tanimoto coefficient of 0.85.



Functional Groups

  • Amines 431 (prim 304, sec 94, tert 84)
  • Carboxylic Acids 301
  • Amides 80
  • Hydroxy 261
  • Aromatic 1106
  • Heterocyclic 487
  • Aryl Halo 326 (F 105, Cl 191)
  • Ether 206

27.04.10 - Drug Discovery Chemistry San Diego

Selcia will be presenting a poster on their new fragment screening technology CEfragTM at the 5th Annual Drug Discovery Chemistry conference in San Diego USA from 27-29 April 2010.

11.04.10 - SBS 16th Annual Conference & Exhibition Phoenix

Selcia will be exhibiting at the SBS 16th Annual Conference & Exhibition in Phoenix, Arizona, USA, from 11-15 April 2010.

08.03.10 - BIO-Europe Spring

Selcia will be attending BIO-Europe Spring, which takes place in Barcelona Spain from 8-10 March 2010.