| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269218
Max Phase: Preclinical
Molecular Formula: C64H52Br2P2
Molecular Weight: 883.07
Associated Items:
Representations
Canonical SMILES: [Br-].[Br-].c1ccc(/C(=C(/c2ccccc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
Standard InChI: InChI=1S/C64H52P2.2BrH/c1-9-25-53(26-10-1)63(55-45-41-51(42-46-55)49-65(57-29-13-3-14-30-57,58-31-15-4-16-32-58)59-33-17-5-18-34-59)64(54-27-11-2-12-28-54)56-47-43-52(44-48-56)50-66(60-35-19-6-20-36-60,61-37-21-7-22-38-61)62-39-23-8-24-40-62;;/h1-48H,49-50H2;2*1H/q+2;;/p-2/b64-63+;;
Standard InChI Key: XTAZANKSCKXKIU-CZONAQFWSA-L
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: 883.07 | Molecular Weight (Monoisotopic): 882.3533 | AlogP: 13.68 | #Rotatable Bonds: 14 |
| Polar Surface Area: 0.00 | Molecular Species: NEUTRAL | HBA: 0 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 0 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 10.61 | CX Basic pKa: | CX LogP: 15.94 | CX LogD: 15.94 |
| Aromatic Rings: 10 | Heavy Atoms: 66 | QED Weighted: 0.08 | Np Likeness Score: -0.01 |
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):