| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3247969
Max Phase: Preclinical
Molecular Formula: C12H19N3OS
Molecular Weight: 253.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2
Standard InChI: InChI=1S/C12H19N3OS/c13-10(16)14-11(17)15-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H4,13,14,15,16,17)
Standard InChI Key: YZABCMDWPQUZIR-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: 253.37 | Molecular Weight (Monoisotopic): 253.1249 | AlogP: 1.50 | #Rotatable Bonds: 1 |
| Polar Surface Area: 67.15 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.81 | CX Basic pKa: | CX LogP: 1.50 | CX LogD: 1.49 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.62 | Np Likeness Score: -1.07 |
References
| 1. Tilley JW, Levitan P, Kramer MJ.. (1979) Adamantylthiourea derivatives as antiviral agents., 22 (8): [PMID:490532] [10.1021/jm00194a025] |
Source
Source(1):