Lenacapavir

The HIV-1 capsid had not been drugged before lenacapavir, which is first-in-class against that target. Rather than inhibiting a single enzyme, the compound binds the protein shell enclosing the viral genome and interferes at several points in the replication cycle, since the capsid must assemble, disassemble and traffic its cargo at different stages. That multi-stage interference is the basis for activity where resistance to established drug classes has accumulated, and the agent is used in multidrug-resistant HIV infection alongside other antiretrovirals. The molecule is unusually large for a small-molecule antiviral, C39H32ClF10N7O5S2 at about 968.3 g/mol, and it is approved with development completed through the final phase.

SMILES

CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O

InChI

InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1