| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261813
Max Phase: Preclinical
Molecular Formula: C20H29NO2
Molecular Weight: 315.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)OC1CCCCC1N1CCC(Cc2ccccc2)CC1
Standard InChI: InChI=1S/C20H29NO2/c1-16(22)23-20-10-6-5-9-19(20)21-13-11-18(12-14-21)15-17-7-3-2-4-8-17/h2-4,7-8,18-20H,5-6,9-15H2,1H3
Standard InChI Key: FWDJBQGSJBAJPZ-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: 315.46 | Molecular Weight (Monoisotopic): 315.2198 | AlogP: 3.82 | #Rotatable Bonds: 4 |
| 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: 9.51 | CX LogP: 4.07 | CX LogD: 1.97 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.79 | Np Likeness Score: 0.50 |
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):