| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5291087
Max Phase: Preclinical
Molecular Formula: C17H19N2OS+
Molecular Weight: 299.42
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
Standard InChI: InChI=1S/C17H19N2OS/c1-18(2)13-7-5-12(6-8-13)17-19(3)15-10-9-14(20-4)11-16(15)21-17/h5-11H,1-4H3/q+1
Standard InChI Key: KYEWCXPNMLEVAV-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: 299.42 | Molecular Weight (Monoisotopic): 299.1213 | AlogP: 3.47 | #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: 3.37 | CX LogP: -0.30 | CX LogD: -0.30 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.69 | Np Likeness Score: -0.70 |
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):