Your lead in drug discovery
Library Design
Chemivate’s screening compound collection was designed based on the following criteria:
 | All compounds must be drug-like and fit the Lipinski criteria1 to give good ADME profiles |
| To include a high proportion of lead-like structures2 |
| To produce only novel compounds |
| To maximise diversity |
| To include features that will facilitate the binding to GPCR’s |
| To provide some scope for the identification early SAR |
| Contain no reactive or other unwanted functional groups3 |
1 Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Adv. Drug Delivery Rev. 1997, 23, 3.
2 Teague, S.; Davis, A. M.; Leeson, P. D; Oprea, T. Angew. Chem. Int. Ed. 1999, 38, 3743. Hann, M.M.; Leach, A. R.; Harper, G. J. Chem. Inf. Comput. Sci. 2001, 41, 856.
3 For example, alkyl halides, epoxides, accy halides, anhydrides, perfluorinated chains, activated aryl halides.
© Chemivate 2004
