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ELAIOMYCIN
ID: ALA2152468
Max Phase: Preclinical
Molecular Formula: C13H26N2O3
Molecular Weight: 258.36
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Elaiomycin
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCCCC/C=C\[N+]([O-])=N\[C@@H](COC)[C@H](C)O
Standard InChI: InChI=1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3/b10-9-,15-14-/t12-,13-/m0/s1
Standard InChI Key: BCPWSYQGYBTINM-DTCMKFPYSA-N
Associated Targets(Human)
HUVEC 11049 Activities
K562 73714 Activities
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HeLa 62764 Activities
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Associated Targets(non-human)
Bacillus subtilis 32866 Activities
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Staphylococcus aureus 210822 Activities
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Escherichia coli 133304 Activities
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Pseudomonas aeruginosa 123386 Activities
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Enterococcus faecalis 29875 Activities
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Mycolicibacterium vaccae 371 Activities
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Sporobolomyces salmonicolor 103 Activities
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Candida albicans 78123 Activities
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Penicillium chrysogenum 1593 Activities
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Aspergillus fumigatus 16427 Activities
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Aspergillus niger 16508 Activities
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Aspergillus terreus 892 Activities
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Molecule Features
| Natural Product: No | 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
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 258.36 | Molecular Weight (Monoisotopic): 258.1943 | AlogP: 2.83 | #Rotatable Bonds: 10 |
| Polar Surface Area: 67.89 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.03 | CX Basic pKa: | CX LogP: 0.62 | CX LogD: 2.64 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.28 | Np Likeness Score: 1.94 |
References
| 1. Ding L, Ndejouong Ble S, Maier A, Fiebig HH, Hertweck C.. (2012) Elaiomycins D-F, antimicrobial and cytotoxic azoxides from Streptomyces sp. strain HKI0708., 75 (10): [PMID:23013356] [10.1021/np300329m] |
Source
Source(1):