Compound ID | 2788

Update compound information

RO7196472

Class: Antimicrobial peptide

Spectrum of activity: Gram-negative
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
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 797.41
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)C4=CN=C(C=C4)N)CC5=CNC6=CC=CC=C65
InChI Key: BDHOZQIIBFIAMB-IMKBVMFZSA-N
Can. SMILES: CN1[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)NCC4=C(C=CC(=C4SC5=NC=CC=C5CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)Cl)C6=CC=C(N)N=C6
InChI: InChI=1S/C41H49ClN10O3S/c1-52-35(20-27-23-47-32-10-3-2-9-29(27)32)39(54)50-24-30-28(25-13-16-36(45)49-21-25)14-15-31(42)37(30)56-40-26(8-7-19-46-40)22-48-33(12-6-18-44)38(53)51-34(41(52)55)11-4-5-17-43/h2-3,7-10,13-16,19,21,23,33-35,47-48H,4-6,11-12,17-18,20,22,24,43-44H2,1H3,(H2,45,49)(H,50,54)(H,51,53)/t33-,34-,35-/m0/s1
External links:
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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