Submission Details
Molecule(s):
C/C(O)=C(/C#N)C(=O)Nc1ccccc1
Design Rationale:
The core of teriflunomide (active metabolite of leflunomide) (it has a para-CF3). Exists as both cis- and trans- isomers and prodrug is an isoxazole precursor. Can this simple warheads be used to engage Cys in any interesting fragments? We have made teriflunomide and analogues in our lab and can send them once we're back.
Other Notes:
"Teriflunomide also has antiviral effects against numerous viruses including CMV, HSV1 and the BK virus, which it achieves by inhibiting viral replication by interfering with nucleocapsid tegumentation and hence virion assembly. 2010). "Leflunomide: a drug with a potential beyond rheumatology". Immunotherapy. 2 (5): 637–50. doi:10.2217/imt.10.52. PMID 20874647." Live vaccines (like haemophilus influenzae type b vaccine and yellow fever vaccines) should be avoided due to the potential for severe infection due to the immunosuppressive nature of the treatment.