Compound ID | 2222
Class: Oxepanoprolinamide
Spectrum of activity: | Gram-positive & Gram-negative |
Details of activity: | Active against ESKAPE pathogens including arm, erm-, cfr- and lsaA-expressing strains; binds to the large ribosomal subunit interfering with translation initiation |
Description: | Synthetic compound (component based and structure guided design); non-haemolytic and non-toxic towards mammalian cell; bacteriostatic |
Year first mentioned: | 2021 |
Development status: | Experimental |
Chemical structure(s): | |
Canonical SMILES: | CC(C)C[C@@H]1CCO[C@@H]2[C@@H](C1)CN[C@@H]2C(=O)N[C@H]([C@H](C)Cl)[C@H]3C([C@H]([C@H](C(O3)SC)O)O)O |
Isomeric SMILES: | C[C@@H]([C@H]([C@H]1C([C@H]([C@H](C(O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl |
InChI: | InChI=1S/C22H39ClN2O6S/c1-10(2)7-12-5-6-30-19-13(8-12)9-24-15(19)21(29)25-14(11(3)23)20-17(27)16(26)18(28)22(31-20)32-4/h10-20,22,24,26-28H,5-9H2,1-4H3,(H,25,29)/t11-,12-,13-,14+,15-,16+,17?,18+,19+,20-,22?/m0/s1 |
InChI Key: | JPCLUJPDWMBCAA-ALYUFWCISA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/162366972 |
External links: | |
Guide to Pharmacology: | iboxamycin |
Main Source: | https://www.nature.com/articles/s41586-021-04045-6 |
Citation: | https://pubs.acs.org/doi/10.1021/jacs.1c03529 |