22 May 2009

Commercial fragments – part 2

Teddy recently observed that it’s not the size of your library that matters, but how you use it. But how do you get a fragment library in the first place? You can of course build one up from scratch, but it may be easier to just buy one. Last year we put out a call for sources of commercial fragments and received some good comments. There are now some new suppliers of which we’ve recently become aware, so an updated list follows.

1190 fragments w. strict “Rule of 3”
11,717 fragment extension set

Iota Pharmaceuticals
Focused on fragment-based discovery
1500 fragments available for purchase
4000 additional fragments in collaboration with Vitas-M

Life Chemicals
22,000 fragments w. MW < 300, clogP < 3
9000 fragments with rotatable bond, PSA, HBA limits

30,000 fragment library (MW < 350)
1000 fragments w. “Rule of 3” and solubility > 1mM
1500 Br- and 5300 F- containing fragments

Zenobia Therapeutics
352 very small fragments (Avg. MW 155)
Verified solubility at 200 mM

Does anyone have any experience using any of these? Are there others we’re missing? Let us know or post comments – anonymously if need be!


Unknown said...

Prestwick Chemical, Inc has
The Prestwick Chemical Library® which contains 1120 small molecules, 90% being marketed drugs and 10% bioactive alkaloids or related substances. They are promoting the use of this library of small molecules for development of a fragment library...

Unknown said...

Pyxis Discovery (www.pyxis-discovery.com) offers a fragment library of ca. 300 compounds. This library was designed by analyzing scaffolds found in Drugs and Natural Products, and synthesizing small sets of analogs around these scaffolds.

All fragments are leadlike (i.e., do not contain any "nasty" chemistry), and conform to the RO3.

This library is expanded at the moment to ca. 500 fragments.

Claudio D. said...

Biofocus DPI, the Cambridge based CRO company offers now a library of nearly 1000 fragments. I do not have many more details, but it's worth to remeber.