| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4279608
Max Phase: Preclinical
Molecular Formula: C16H29NO3
Molecular Weight: 283.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1
Standard InChI: InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-15(18)12-16(19)17-14-10-11-20-13-14/h14H,2-13H2,1H3,(H,17,19)/t14-/m0/s1
Standard InChI Key: IWYXZAIHGCVLSG-AWEZNQCLSA-N
Associated Targets(non-human)
PhzR 76 Activities
Transcriptional activator protein lasR 432 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: 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: 283.41 | Molecular Weight (Monoisotopic): 283.2147 | AlogP: 2.99 | #Rotatable Bonds: 11 |
| Polar Surface Area: 55.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.37 | CX Basic pKa: | CX LogP: 3.13 | CX LogD: 3.13 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.47 | Np Likeness Score: 0.39 |
References
| 1. Boursier ME, Manson DE, Combs JB, Blackwell HE.. (2018) A comparative study of non-native N-acyl l-homoserine lactone analogs in two Pseudomonas aeruginosa quorum sensing receptors that share a common native ligand yet inversely regulate virulence., 26 (19): [PMID:29793752] [10.1016/j.bmc.2018.05.018] |
Source
Source(1):