| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3247963
Max Phase: Preclinical
Molecular Formula: C14H22N2O2S
Molecular Weight: 282.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2
Standard InChI: InChI=1S/C14H22N2O2S/c1-2-18-13(17)15-12(19)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H2,15,16,17,19)
Standard InChI Key: DFUZNDJMFAJHKC-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: 282.41 | Molecular Weight (Monoisotopic): 282.1402 | AlogP: 2.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 50.36 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.61 | CX Basic pKa: | CX LogP: 2.81 | CX LogD: 2.78 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.76 | Np Likeness Score: -0.99 |
References
| 1. Tilley JW, Levitan P, Kramer MJ.. (1979) Adamantylthiourea derivatives as antiviral agents., 22 (8): [PMID:490532] [10.1021/jm00194a025] |
Source
Source(1):