| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5194883
Max Phase: Preclinical
Molecular Formula: C14H19NO2S2
Molecular Weight: 297.45
Associated Items:
Representations
Canonical SMILES: O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1cccs1
Standard InChI: InChI=1S/C14H19NO2S2/c16-19(17,13-2-1-3-18-13)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14-15H,4-8H2
Standard InChI Key: YHYAAMWVCSUWGH-UHFFFAOYSA-N
Associated Targets(Human)
Gamma-secretase 4915 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: 297.45 | Molecular Weight (Monoisotopic): 297.0857 | AlogP: 2.85 | #Rotatable Bonds: 3 |
| Polar Surface Area: 46.17 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.79 | CX Basic pKa: | CX LogP: 2.93 | CX LogD: 2.91 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.93 | Np Likeness Score: -1.51 |
References
| 1. Kumar N, Kumar V, Anand P, Kumar V, Ranjan Dwivedi A, Kumar V.. (2022) Advancements in the development of multi-target directed ligands for the treatment of Alzheimer's disease., 61 [PMID:35398739] [10.1016/j.bmc.2022.116742] |
Source
Source(1):