| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA396577
Max Phase: Preclinical
Molecular Formula: C6H12O3
Molecular Weight: 132.16
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCC[C@H]1COCCO1
Standard InChI: InChI=1S/C6H12O3/c7-2-1-6-5-8-3-4-9-6/h6-7H,1-5H2/t6-/m0/s1
Standard InChI Key: UIJPWDSKPZLJAN-LURJTMIESA-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: 132.16 | Molecular Weight (Monoisotopic): 132.0786 | AlogP: -0.22 | #Rotatable Bonds: 2 |
| Polar Surface Area: 38.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -0.66 | CX LogD: -0.66 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.56 | Np Likeness Score: 0.44 |
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):