Compound ID | 2789

Update compound information

RO7075573

Class: Antimicrobial peptide

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); a macrocyclic peptide
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):
Click here for structure editor
Molecular weight: 739.76
Iso. 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 Key: GBONSZKSVKTWGU-CHQNGUEUSA-N
Can. 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
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
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/129098768
Guide to Pharmacology: RO7075573
Citations:
  • https://www.nature.com/articles/s41586-023-06873-0
  • https://www.sciencedirect.com/science/article/pii/S0960894X08007403?via%3Dihub
  • https://www.nature.com/articles/s41586-023-06799-7

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