| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4741298
Max Phase: Preclinical
Molecular Formula: C18H34N2O3
Molecular Weight: 326.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@H](C)/N=[N+]([O-])/C=C/CCCCCCCCCC(C)C
Standard InChI: InChI=1S/C18H34N2O3/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-20(22)19-17(3)18(21)23-4/h13,15-17H,5-12,14H2,1-4H3/b15-13+,20-19-/t17-/m0/s1
Standard InChI Key: SLGRVNFOKARIBY-UWZRELFNSA-N
Associated Targets(non-human)
Vibrio anguillarum 183 Activities
Staphylococcus aureus 210822 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 326.48 | Molecular Weight (Monoisotopic): 326.2569 | AlogP: 5.19 | #Rotatable Bonds: 13 |
| Polar Surface Area: 64.73 | Molecular Species: ACID | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.06 | CX Basic pKa: | CX LogP: 3.58 | CX LogD: 5.61 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.15 | Np Likeness Score: 1.02 |
References
| 1. Wibowo M,Gotfredsen CH,Sassetti E,Melchiorsen J,Clausen MH,Gram L,Ding L. (2020) Azodyrecins A-C: Azoxides from a Soil-Derived Streptomyces Species., 83 (12): [PMID:33216557] [10.1021/acs.jnatprod.0c00339] |
Source
Source(1):