Description
ChemDiv’s Factor XIa Targeted Library contains ~6,500 compounds.
Currently, all FDA-approved anticoagulants have an extensive list of side effects, the most of which are related to bleeding.
The coagulation cascade is the most prevalent target for these drugs. It contains two major pathways:
• the extrinsic pathway – initiated by endothelium damage or hypoxia
• the intrinsic pathway – triggered by damage to blood vessel
Clinical evidences suggest that selectively inhibiting the latter could lessen the risks of bleeding.
Factor XIa (FXIa – plasma thromboplastin antecedent) is a serine protease of the intrinsic pathway. This protein is involved in the amplification of procoagulation signal amplification. As a result, it is an attractive target for the treatment of thrombotic disorders.
This library of carefully selected virtual hits can serve as the foundation for developing a new anticoagulant with a mode of action focused at inhibiting Factor XIa.
Related
Product Details
Set of small-molecule compounds that can target Factor XIa
Library Composition
Set of small-molecule compounds that can target Factor XIa
Publications
1. Corte JR, Fang T, Osuna H, Pinto DJ, Rossi KA, Myers JE Jr, Sheriff S, Lou Z, Zheng JJ, Harper TW, Bozarth JM, Wu Y, Luettgen JM, Seiffert DA, Decicco CP, Wexler RR, Quan ML. Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J Med Chem. 2017 Feb 9;60(3):1060-1075. doi: 10.1021/acs.jmedchem.6b01460.
2. Baell JB, Holloway GA. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J Med Chem. 2010; 53(7):2719-40. doi: 10.1021/jm901137j.
3. Sushko I, Salmina E, Potemkin VA, Poda G, Tetko IV. ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions. J Chem Inf Model. 2012; 52(8):2310-6. doi: 10.1021/ci300245q.
4. Ashton, M. et. al., Quant. Struct.-Act. Relat., 21 (2002), 598-604.
