Compound ID | 2143

JSF-2414

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Inhibits bacterial DNA gyrase (GyrB) and topoisomerase IV (ParE) by binding at the ATP-binding domain which interferes with DNA biosynthesis. Active against Gram-positive bacteria and Neisseria gonorrhoeae.
Description: Synthetic compound; tricyclic pyrimidoindole; TriBE inhibitors; oral pro-drug conjugate JSF-2659
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 493.53
Iso. SMILES: FC1=CC(NC)=C2C(C3=C(N2)N=C(OC4=CN=C(N=C4)C)N=C3N5CCC6(CC5)C[C@H](OC6)CO)=C1
InChI Key: XFHXHYIQODZPRJ-INIZCTEOSA-N
Can. SMILES: CC1=NC=C(C=N1)OC2=NC(=C3C4=CC(=CC(=C4NC3=N2)NC)F)N5CCC6(CC5)C[C@@H](CO)OC6
InChI: InChI=1S/C25H28FN7O3/c1-14-28-10-17(11-29-14)36-24-31-22-20(18-7-15(26)8-19(27-2)21(18)30-22)23(32-24)33-5-3-25(4-6-33)9-16(12-34)35-13-25/h7-8,10-11,16,27,34H,3-6,9,12-13H2,1-2H3,(H,30,31,32)/t16-/m0/s1

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