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AUREOTHRICIN
ID: ALA1163542
Max Phase: Preclinical
Molecular Formula: C9H10N2O2S2
Molecular Weight: 242.32
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Aureothricin
Synonyms from Alternative Forms(1):
Canonical SMILES: CCC(=O)Nc1c2sscc-2n(C)c1=O
Standard InChI: InChI=1S/C9H10N2O2S2/c1-3-6(12)10-7-8-5(4-14-15-8)11(2)9(7)13/h4H,3H2,1-2H3,(H,10,12)
Standard InChI Key: UGZYFXMSMFMTSM-UHFFFAOYSA-N
Associated Targets(non-human)
Bacillus subtilis 32866 Activities
Heyndrickxia coagulans 15 Activities
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Micrococcus luteus 7463 Activities
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Umbelopsis ramanniana 24 Activities
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Penicillium expansum 70 Activities
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Fusarium equiseti 38 Activities
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Fusarium culmorum 260 Activities
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Fusarium oxysporum 3998 Activities
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Saccharomyces cerevisiae 19171 Activities
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Escherichia coli 133304 Activities
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Fusarium verticillioides 912 Activities
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Fusarium graminearum 1554 Activities
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Candida albicans 78123 Activities
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Staphylococcus aureus 210822 Activities
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Listeria monocytogenes 2626 Activities
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Klebsiella pneumoniae 43867 Activities
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Salmonella enterica 1497 Activities
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Pseudomonas aeruginosa 123386 Activities
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Agrobacterium tumefaciens 620 Activities
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Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
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Properties
| Molecular Weight: 242.32 | Molecular Weight (Monoisotopic): 242.0184 | AlogP: 1.96 | #Rotatable Bonds: 2 |
| Polar Surface Area: 51.10 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.47 | CX Basic pKa: | CX LogP: 0.17 | CX LogD: 0.17 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.82 | Np Likeness Score: 0.21 |
References
| 1. Merrouche R, Bouras N, Coppel Y, Mathieu F, Monje MC, Sabaou N, Lebrihi A.. (2010) Dithiolopyrrolone antibiotic formation induced by adding valeric acid to the culture broth of Saccharothrix algeriensis., 73 (6): [PMID:20507156] [10.1021/np900808u] |
Source
Source(1):