| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3247965
Max Phase: Preclinical
Molecular Formula: C15H27N2O3PS
Molecular Weight: 346.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOP(=O)(NC(=S)NC12CC3CC(CC(C3)C1)C2)OCC
Standard InChI: InChI=1S/C15H27N2O3PS/c1-3-19-21(18,20-4-2)17-14(22)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3,(H2,16,17,18,22)
Standard InChI Key: CVAVUZNNEOGGDW-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: 346.43 | Molecular Weight (Monoisotopic): 346.1480 | AlogP: 3.60 | #Rotatable Bonds: 6 |
| Polar Surface Area: 59.59 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.89 | CX Basic pKa: | CX LogP: 2.73 | CX LogD: 2.63 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.57 | Np Likeness Score: -0.57 |
References
| 1. Tilley JW, Levitan P, Kramer MJ.. (1979) Adamantylthiourea derivatives as antiviral agents., 22 (8): [PMID:490532] [10.1021/jm00194a025] |
Source
Source(1):