| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262084
Max Phase: Preclinical
Molecular Formula: C6H9NO2
Molecular Weight: 127.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)Nc1ccco1
Standard InChI: InChI=1S/C6H9NO2/c1-5(8)7-6-3-2-4-9-6/h2-5,7-8H,1H3
Standard InChI Key: XDPRLOWTVYRWDO-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: 127.14 | Molecular Weight (Monoisotopic): 127.0633 | AlogP: 1.03 | #Rotatable Bonds: 2 |
| Polar Surface Area: 45.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.14 | CX Basic pKa: | CX LogP: 0.33 | CX LogD: 0.33 |
| Aromatic Rings: 1 | Heavy Atoms: 9 | QED Weighted: 0.58 | Np Likeness Score: -0.66 |
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):