| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261809
Max Phase: Preclinical
Molecular Formula: C11H22N2O
Molecular Weight: 198.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(C2CCCCC2O)CC1
Standard InChI: InChI=1S/C11H22N2O/c1-12-6-8-13(9-7-12)10-4-2-3-5-11(10)14/h10-11,14H,2-9H2,1H3
Standard InChI Key: XNPIZFXPYIILPL-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: 198.31 | Molecular Weight (Monoisotopic): 198.1732 | AlogP: 0.54 | #Rotatable Bonds: 1 |
| Polar Surface Area: 26.71 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.75 | CX LogP: 0.76 | CX LogD: -0.61 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.67 | Np Likeness Score: 0.13 |
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):