RO7075573

Class: Antimicrobial peptide (macrocyclic peptide)

Spectrum of activity:	Gram-positive
Details of activity:	Active against carbapenem-resistant and -susceptible Acinetobacter baumannii; no activity against other Gram-negatives (selectivity due to lipopolysaccharide transport [Lpt] protein differences affecting how they bind to the LPS); lipopolysaccharide synthesis inhibitor targeting Lpt transporter
Description:	Synthetic compound made as part of the macrocyclic peptidomimetics library by Tranzyme Pharma Inc. (Canada)
Institute where first reported:	Roche Pharma Research and Early Development, Immunology, Infectious Disease and Ophthalmology, Roche Innovation Center Basel, F. Hoffmann-La Roche, Basel, Switzerland
Year first mentioned:	2024
Highest developmental phase:	Preclinical
Development status:	Active (as of 2024)

Chemical structure(s):
Canonical SMILES:	CN1[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)NCC4=C(C(=CC=C4Cl)Cl)SC5=NC=CC=C5CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
Isomeric SMILES:	CN1[C@H](C(=O)NCC2=C(C=CC(=C2SC3=C(CN[C@H](C(=O)N[C@H](C1=O)CCCCN)CCCN)C=CC=N3)Cl)Cl)CC4=CNC5=CC=CC=C54
InChI:	InChI=1S/C36H44Cl2N8O3S/c1-46-31(18-23-20-42-28-10-3-2-9-24(23)28)34(48)44-21-25-26(37)13-14-27(38)32(25)50-35-22(8-7-17-41-35)19-43-29(12-6-16-40)33(47)45-30(36(46)49)11-4-5-15-39/h2-3,7-10,13-14,17,20,29-31,42-43H,4-6,11-12,15-16,18-19,21,39-40H2,1H3,(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1
InChI Key:	GBONSZKSVKTWGU-CHQNGUEUSA-N
Structure link:	https://pubchem.ncbi.nlm.nih.gov/compound/129098768

External links:
Guide to Pharmacology:	RO7075573
Main Source:	https://www.nature.com/articles/s41586-023-06799-7
Citations:	https://www.nature.com/articles/s41586-023-06873-0 https://www.sciencedirect.com/science/article/pii/S0960894X08007403?via%3Dihub