Fragment based drug design has and continues to enjoy considerable success (1,2) as a reliable method of identifying and then elaborating hits into valuable and much needed lead compounds.

Many companies have launched their own fragment libraries but these tend to be relatively small collections, each of which usually defined using similar, but not necessarily identical rule of three physiochemical predictors. While this does indeed identify fragments, many of these are not easily amenable to medicinal chemistry development as they lack functionality, or worse still any attempt to elaborate them corrupts the fragment itself.

Therefore Ambinter has adopted a new approach.

We are preparing what will become one of the worlds largest fragments collections using our existing database of over 10 million chemical structures, we have first refined them using a standard set of rule of three parameters.

TParameter	Ambinter Fragment Library
Molecular Weight	150....300
ClogP	-2....3
H-Bond acceptors	0....3
H-Bond donors	0....3
Total Polar Surface Area	0....60

However, we have gone a step further. We have then used our panel of industry renowned medicinal organic chemists to review each individually to highlight only those that are true fragments with medicinal chemistry potential. We accept that this is to a degree a subjective matter, based on the panellists individual experience. If you need advice on why we think its a development fragment, just contact us. We are happy to assist programs licensed from Chem Axon (www.chemaxon.com)

Please bookmark our website, there will be more updates and other exciting offerings coming up regularly. Watch out for the designer scaffolds too!