| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3247971
Max Phase: Preclinical
Molecular Formula: C13H18N2OS
Molecular Weight: 250.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CSC(NC23CC4CC(CC(C4)C2)C3)=N1
Standard InChI: InChI=1S/C13H18N2OS/c16-11-7-17-12(14-11)15-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,14,15,16)
Standard InChI Key: TXHVTYLYFADORD-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: 250.37 | Molecular Weight (Monoisotopic): 250.1140 | AlogP: 2.17 | #Rotatable Bonds: 1 |
| Polar Surface Area: 41.46 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.80 | CX Basic pKa: 0.23 | CX LogP: 1.71 | CX LogD: -0.41 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.78 | Np Likeness Score: -0.80 |
References
| 1. Tilley JW, Levitan P, Kramer MJ.. (1979) Adamantylthiourea derivatives as antiviral agents., 22 (8): [PMID:490532] [10.1021/jm00194a025] |
Source
Source(1):