| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261812
Max Phase: Preclinical
Molecular Formula: C13H23NO2
Molecular Weight: 225.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)OC1CCCCC1N1CCCCC1
Standard InChI: InChI=1S/C13H23NO2/c1-11(15)16-13-8-4-3-7-12(13)14-9-5-2-6-10-14/h12-13H,2-10H2,1H3
Standard InChI Key: VNDGSLDSEDHJLE-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: 225.33 | Molecular Weight (Monoisotopic): 225.1729 | AlogP: 2.35 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.54 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.45 | CX LogP: 2.21 | CX LogD: 0.17 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.68 | Np Likeness Score: 0.77 |
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):