| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282501
Max Phase: Preclinical
Molecular Formula: C19H22O4S2
Molecular Weight: 378.52
Associated Items:
Representations
Canonical SMILES: OCCSC(SCCO)c1ccc2c(c1)OCC(c1ccccc1)O2
Standard InChI: InChI=1S/C19H22O4S2/c20-8-10-24-19(25-11-9-21)15-6-7-16-17(12-15)22-13-18(23-16)14-4-2-1-3-5-14/h1-7,12,18-21H,8-11,13H2
Standard InChI Key: RDMQDZNFNKFZPW-UHFFFAOYSA-N
Associated Targets(non-human)
L6 7924 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 378.52 | Molecular Weight (Monoisotopic): 378.0960 | AlogP: 3.65 | #Rotatable Bonds: 8 |
| Polar Surface Area: 58.92 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.13 | CX LogD: 3.13 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.68 | Np Likeness Score: 0.21 |
References
| 1. Lepechkin-Zilbermintz V, Bareket D, Gonnord V, Steffen A, Morice C, Michaut M, Munder A, Korshin EE, Contreras JM, Cerasi E, Sasson S, Gruzman A.. (2023) Moderately lipophilic 2-(Het)aryl-6-dithioacetals, 2-phenyl-1,4-benzodioxane-6-dithioacetals and 2-phenylbenzofuran-5-dithioacetals: Synthesis and primary evaluation as potential antidiabetic AMPK-activators., 87 [PMID:37167713] [10.1016/j.bmc.2023.117303] |
Source
Source(1):