| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA396578
Max Phase: Preclinical
Molecular Formula: C10H18O2S2
Molecular Weight: 234.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C1CSC(CC[C@@H]2COCCO2)SC1
Standard InChI: InChI=1S/C10H18O2S2/c1-6-13-10(14-7-1)3-2-9-8-11-4-5-12-9/h9-10H,1-8H2/t9-/m1/s1
Standard InChI Key: SVJFRDSCWCZORW-SECBINFHSA-N
Associated Targets(non-human)
Sindbis virus 1599 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: 234.39 | Molecular Weight (Monoisotopic): 234.0748 | AlogP: 2.38 | #Rotatable Bonds: 3 |
| Polar Surface Area: 18.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.83 | CX LogD: 1.83 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.75 | Np Likeness Score: -0.24 |
References
| 1. Kim HY, Kuhn RJ, Patkar C, Warrier R, Cushman M.. (2007) Synthesis of dioxane-based antiviral agents and evaluation of their biological activities as inhibitors of Sindbis virus replication., 15 (7): [PMID:17287124] [10.1016/j.bmc.2007.01.040] |
Source
Source(1):