| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277771
Max Phase: Preclinical
Molecular Formula: C20H23N2OS+
Molecular Weight: 339.48
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1)sc(-c1ccc(N3CCCCC3)cc1)[n+]2C
Standard InChI: InChI=1S/C20H23N2OS/c1-21-18-11-10-17(23-2)14-19(18)24-20(21)15-6-8-16(9-7-15)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3/q+1
Standard InChI Key: DCNWELWZBYQQKQ-UHFFFAOYSA-N
Associated Targets(Human)
Alpha-synuclein 10960 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: 339.48 | Molecular Weight (Monoisotopic): 339.1526 | AlogP: 4.39 | #Rotatable Bonds: 3 |
| Polar Surface Area: 16.35 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.94 | CX LogP: 0.55 | CX LogD: 0.55 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.66 | Np Likeness Score: -0.83 |
References
| 1. Haque R, Maity D.. (2023) Small molecule-based fluorescent probes for the detection of α-Synuclein aggregation states., 86 [PMID:36966976] [10.1016/j.bmcl.2023.129257] |
Source
Source(1):