Compound ID | 2468

Update compound information

Linker-evolved-group-optimized LEGO-LPPO (lipophosphonoxin) 25

Class: Antimicrobial peptide

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Membrane-active agent
Target Pathogen: Active against Staphylococcus aureus, Staphylococcus epidermidis, Enterococcus faecalis, Escherichia coli, and Pseudomonas aeruginosa
Description: Synthetic compound; analogues reported; mammalian cell cytotoxic dose CC50 at 93.6 ug/ml (vs highest Gram positive MIC 4 ug/ml)
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 975.79
Iso. SMILES: CCCCCCCCOP(=O)(CCN(CCCN)CCCN)OCCCCOP(=O)(CCN(CCCN)CCCN)OCCCCCCCC.Cl.Cl.Cl.Cl.Cl.Cl
InChI Key: OCETVLFKLNEHKK-UHFFFAOYSA-N
Can. SMILES: CCCCCCCCOP(=O)(CCN(CCCN)CCCN)OCCCCOP(=O)(CCN(CCCN)CCCN)OCCCCCCCC.Cl.Cl.Cl.Cl.Cl.Cl
InChI: InChI=1S/C36H82N6O6P2.6ClH/c1-3-5-7-9-11-13-31-45-49(43,35-29-41(25-17-21-37)26-18-22-38)47-33-15-16-34-48-50(44,46-32-14-12-10-8-6-4-2)36-30-42(27-19-23-39)28-20-24-40;;;;;;/h3-40H2,1-2H3;6*1H
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/168274170
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c00684

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