| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262089
Max Phase: Preclinical
Molecular Formula: C10H19NO2
Molecular Weight: 185.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)OC(C)N1CCCCC1C
Standard InChI: InChI=1S/C10H19NO2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h8-9H,4-7H2,1-3H3
Standard InChI Key: BDAJYXDJJHOYSE-UHFFFAOYSA-N
Associated Targets(non-human)
Acanthocheilonema viteae 418 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 185.27 | Molecular Weight (Monoisotopic): 185.1416 | AlogP: 1.77 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.38 | CX LogP: 1.55 | CX LogD: 1.55 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.61 | Np Likeness Score: -0.11 |
References
| 1. Agarwal A, Awasthi SK, Murthy PK. (2011) In vivo antifilarial activity of some cyclic and acylic alcohols, 20 (4): [10.1007/s00044-010-9331-4] |
Source
Source(1):