| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261810
Max Phase: Preclinical
Molecular Formula: C19H29NO
Molecular Weight: 287.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC1CCCCCC1N1CCC(Cc2ccccc2)CC1
Standard InChI: InChI=1S/C19H29NO/c21-19-10-6-2-5-9-18(19)20-13-11-17(12-14-20)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-19,21H,2,5-6,9-15H2
Standard InChI Key: UFZNLCJSEVPVGE-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: 287.45 | Molecular Weight (Monoisotopic): 287.2249 | AlogP: 3.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 23.47 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.32 | CX LogP: 4.07 | CX LogD: 1.25 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.86 | Np Likeness Score: 0.20 |
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):