| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5179120
Max Phase: Preclinical
Molecular Formula: C14H23NO2S2
Molecular Weight: 301.48
Associated Items:
Representations
Canonical SMILES: O=S(=O)(NC12CC3CC(CC(C3)C1)C2)C1CCCS1
Standard InChI: InChI=1S/C14H23NO2S2/c16-19(17,13-2-1-3-18-13)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13,15H,1-9H2
Standard InChI Key: RIMMCGONNWJCIV-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: 301.48 | Molecular Weight (Monoisotopic): 301.1170 | AlogP: 2.73 | #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: 10.63 | CX Basic pKa: | CX LogP: 2.15 | CX LogD: 2.15 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.87 | Np Likeness Score: -0.44 |
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):