The details of FoldDB ID: fd0391 |
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| Identification | |
|---|---|
| FoldDB ID | fd0391 |
| Smiles | |
| Inchi Key | CTNGVRJBZXNDKB-HYCIEDERSA-N |
| Molecular weight | 1404.88 |
| Molecular formula | C67H117N23O8S |
| Source | synthetic construct |
| External ID | |
|---|---|
| Reaxys ID | 31546399 |
| Other information | |
|---|---|
| Application | Antimicrobial/peptide mimics |
| Foldamer type | Others |
| Other type | aliphatic urea-based foldamers |
| Calculated properties | |
|---|---|
| LogP | 1.98600 |
| Rotatable Bonds | 61 |
| H Bond Donor | 23 |
| H Bond Acceptor | 31 |
| Polar Surface Area (PSA) | 508.82000 |
| Activity |
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| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0109 | RAW 264.7 cell line | Toxicity/Safety Pharmacology | 28 | μg/ml | TD50 | ||||
| fdact0110 | bacillus anthracis 9602p | In Vitro (Efficacy) | 2.3 | μg/ml | IC50 | for germinated spores | |||
| fdact0111 | bacillus anthracis 9602p | In Vitro (Efficacy) | 3.3 | μg/ml | IC50 | for encapsulated bacilli |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Effect of replacing main-chain ureas with thiourea and guanidinium surrogates on the bactericidal activity of membrane active oligourea foldamers | 2017 | Stéphanie Antunes., Jean-Philippe Corre., Guillain Mikaty., Céline Douat., Pierre L. Goossens., Gilles Guichard., | Bioorganic & Medicinal Chemistry | ||
