The details of FoldDB ID: fd0964 |
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| Identification | |
|---|---|
| FoldDB ID | fd0964 |
| Smiles | |
| Inchi Key | RMDHOVXCLGIECB-PDWZDGOJSA-N |
| Molecular weight | 1384.86 |
| Molecular formula | C71H121N19O9 |
| Source | synthetic construct |
| External ID | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Reaxys ID | 20115254 | ||||||||
| Structural Information | |
|---|---|
| Structure reported | yes |
| Method | NMR |
| NMR Solvent | 1,1,1-trideuteromethanol |
| Other information | |
|---|---|
| Application | antimicrobial activity |
| Foldamer type | Îł Peptide |
| Other type | oligoureas, Îł4-peptides hybrid |
| Structure Type | helical |
| Calculated properties | |
|---|---|
| LogP | 3.66200 |
| Rotatable Bonds | 61 |
| H Bond Donor | 19 |
| H Bond Acceptor | 28 |
| Polar Surface Area (PSA) | 445.68000 |
| Activity |
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| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0623 | In Vitro (others) | Candida parapsilosis | In Vitro (Efficacy) | > 64 | mg/L | MFC (minimum fungicidal concentration) | |||
| fdact0624 | In Vitro (others) | Candida parapsilosis | In Vitro (Efficacy) | 64 | mg/L | MIC | |||
| fdact0625 | In Vitro (others) | Pichia kudriavzevii | In Vitro (Efficacy) | > 64 | mg/L | MFC (minimum fungicidal concentration) | |||
| fdact0626 | In Vitro (others) | Pichia kudriavzevii | In Vitro (Efficacy) | 64 | mg/L | MIC | |||
| fdact0627 | In Vitro (others) | Candida albicans | In Vitro (Efficacy) | > 64 | mg/L | MFC (minimum fungicidal concentration) | |||
| fdact0628 | In Vitro (others) | Candida albicans | In Vitro (Efficacy) | > 64 | mg/L | MIC | |||
| fdact0629 | In Vitro (others) | Escherichia coli | In Vitro (Efficacy) | > 256 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0630 | In Vitro (others) | Escherichia coli | In Vitro (Efficacy) | 128 | mg/L | MIC | |||
| fdact0631 | In Vitro (others) | Staphylococcus aureus | In Vitro (Efficacy) | > 256 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0632 | In Vitro (others) | Staphylococcus aureus | In Vitro (Efficacy) | 128 | mg/L | MIC | |||
| fdact0633 | In Vitro (others) | Pseudomonas aeruginosa | In Vitro (Efficacy) | 256 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0634 | In Vitro (others) | Pseudomonas aeruginosa | In Vitro (Efficacy) | 128 | mg/L | MIC |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Consequences of Isostructural MainâChain Modifications for the Design of Antimicrobial Foldamers: Helical Mimics of HostâDefense 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 | ||
