| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262085
Max Phase: Preclinical
Molecular Formula: C14H21NO
Molecular Weight: 219.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)N1CCC(Cc2ccccc2)CC1
Standard InChI: InChI=1S/C14H21NO/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
Standard InChI Key: PGTQEBASZUIFFM-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: 219.33 | Molecular Weight (Monoisotopic): 219.1623 | AlogP: 2.28 | #Rotatable Bonds: 3 |
| Polar Surface Area: 23.47 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.91 | CX Basic pKa: 8.28 | CX LogP: 2.56 | CX LogD: 1.62 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.84 | Np Likeness Score: -0.34 |
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):