ID: ALA2261808
Max Phase: Preclinical
Molecular Formula: C10H19NO2
Molecular Weight: 185.27
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: OC1CCCCC1N1CCOCC1
Standard InChI: InChI=1S/C10H19NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h9-10,12H,1-8H2
Standard InChI Key: VRWZNEVHNNIRKP-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 185.27 | Molecular Weight (Monoisotopic): 185.1416 | AlogP: 0.62 | #Rotatable Bonds: 1 |
| Polar Surface Area: 32.70 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.00 | CX LogP: 0.70 | CX LogD: 0.00 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.65 | Np Likeness Score: 0.03 |
| 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(1):
