| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274551
Max Phase: Preclinical
Molecular Formula: C24H23N3O5
Molecular Weight: 433.46
Associated Items:
Representations
Canonical SMILES: CN(C)c1ccc(-c2oc3cc(N(C)CCN4C(=O)C=CC4=O)ccc3c(=O)c2O)cc1
Standard InChI: InChI=1S/C24H23N3O5/c1-25(2)16-6-4-15(5-7-16)24-23(31)22(30)18-9-8-17(14-19(18)32-24)26(3)12-13-27-20(28)10-11-21(27)29/h4-11,14,31H,12-13H2,1-3H3
Standard InChI Key: ISAMJCNZWLOIAB-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: 433.46 | Molecular Weight (Monoisotopic): 433.1638 | AlogP: 2.59 | #Rotatable Bonds: 6 |
| Polar Surface Area: 94.30 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.82 | CX Basic pKa: 3.81 | CX LogP: 2.35 | CX LogD: 2.35 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.60 | Np Likeness Score: 0.00 |
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):