The details of FoldDB ID: fd0962 |
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| Identification | |
|---|---|
| FoldDB ID | fd0962 |
| Smiles | |
| Inchi Key | BTXCGNVUQAFIMC-SBDNZJEWSA-N |
| Molecular weight | 1529.02 |
| Molecular formula | C74H125N23O10S |
| Source | synthetic construct |
| External ID | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Reaxys ID | 20115260 | ||||||||
| Structural Information | |
|---|---|
| Structure reported | yes |
| Method | NMR |
| NMR Solvent | 1,1,1-trideuteromethanol |
| Other information | |
|---|---|
| Application | antimicrobial activity |
| Foldamer type | γ Peptide |
| Other type | oligoureas, γ4-peptides hybrid |
| Structure Type | helical |
| Calculated properties | |
|---|---|
| LogP | 1.77900 |
| Rotatable Bonds | 64 |
| H Bond Donor | 23 |
| H Bond Acceptor | 33 |
| Polar Surface Area (PSA) | 536.17000 |
| Activity |
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| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0607 | In Vitro (others) | Escherichia coli | In Vitro (Efficacy) | 256 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0608 | In Vitro (others) | Escherichia coli | In Vitro (Efficacy) | 64 | mg/L | MIC | |||
| fdact0609 | In Vitro (others) | Staphylococcus aureus | In Vitro (Efficacy) | 128 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0610 | In Vitro (others) | Staphylococcus aureus | In Vitro (Efficacy) | 32 | mg/L | MIC | |||
| fdact0611 | In Vitro (others) | Pseudomonas aeruginosa | In Vitro (Efficacy) | 128 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0612 | In Vitro (others) | Pseudomonas aeruginosa | In Vitro (Efficacy) | 128 | mg/L | MIC | |||
| fdact0613 | bacillus anthracis 9602p | In Vitro (Efficacy) | 64.8 | % | mortality rate | ||||
| fdact0614 | Bagg albino mouse | Pharmacokinetic | ~ 70 | % | % uptake | Radioactivity | |||
| fdact0615 | Bagg albino mouse | Pharmacokinetic | Active | qualitative |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Consequences of Isostructural Main‐Chain Modifications for the Design of Antimicrobial Foldamers: Helical Mimics of Host‐Defense Peptides Based on a Heterogeneous Amide/Urea Backbone | 2010 | Claudon, Paul., Violette, Aude., Lamour, Karen., Decossas, Marion., Fournel, Sylvie., Heurtault, Beatrice., Godet, Julien., Mely, Yves., Jamart-Gregoire, Brigitte., Averlant-Petit, Marie-Christine., Briand, Jean-Paul., Duportail, Guy., Monteil, Henri., Guichard, Gilles., | Angewandte Chemie - International Edition | ||
Proteolytically Stable Foldamer Mimics of Host-Defense Peptides with Protective Activities in a Murine Model of Bacterial Infection | 2016 | Teyssières, Emilie., Corre, Jean-Philippe., Antunes, Stephanie., Rougeot, Catherine., Dugave, Christophe., Jouvion, Grégory., Claudon, Paul., Mikaty, Guillain., Douat, Céline., Goossens, Pierre L., Guichard, Gilles | Journal of medicinal chemistry | ||
