| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3247970
Max Phase: Preclinical
Molecular Formula: C15H24N2O2S
Molecular Weight: 296.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)/N=C(/NC12CC3CC(CC(C3)C1)C2)SC
Standard InChI: InChI=1S/C15H24N2O2S/c1-3-19-14(18)16-13(20-2)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,3-9H2,1-2H3,(H,16,17,18)
Standard InChI Key: OTHSEVNSABVRAK-UHFFFAOYSA-N
Associated Targets(non-human)
unidentified influenza virus 265 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: 296.44 | Molecular Weight (Monoisotopic): 296.1558 | AlogP: 3.42 | #Rotatable Bonds: 2 |
| Polar Surface Area: 50.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.30 | CX LogD: 3.30 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.63 | Np Likeness Score: -0.74 |
References
| 1. Tilley JW, Levitan P, Kramer MJ.. (1979) Adamantylthiourea derivatives as antiviral agents., 22 (8): [PMID:490532] [10.1021/jm00194a025] |
Source
Source(1):