| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262087
Max Phase: Preclinical
Molecular Formula: C8H11NO3
Molecular Weight: 169.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)OC(C)Nc1ccco1
Standard InChI: InChI=1S/C8H11NO3/c1-6(12-7(2)10)9-8-4-3-5-11-8/h3-6,9H,1-2H3
Standard InChI Key: ITXCJHSBCQVHGW-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: 169.18 | Molecular Weight (Monoisotopic): 169.0739 | AlogP: 1.60 | #Rotatable Bonds: 3 |
| Polar Surface Area: 51.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.77 | CX LogD: 0.77 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.55 | Np Likeness Score: -0.23 |
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):