| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2323026
Max Phase: Preclinical
Molecular Formula: C18H15NO
Molecular Weight: 261.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2nc(/C=C/c3ccccc3)ccc2c1
Standard InChI: InChI=1S/C18H15NO/c1-20-17-11-12-18-15(13-17)8-10-16(19-18)9-7-14-5-3-2-4-6-14/h2-13H,1H3/b9-7+
Standard InChI Key: GGNDOAUDXSABFB-VQHVLOKHSA-N
Associated Targets(Human)
Amyloid-beta A4 protein 8510 Activities
Associated Targets(non-human)
Prion protein 315 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Properties
| Molecular Weight: 261.32 | Molecular Weight (Monoisotopic): 261.1154 | AlogP: 4.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 22.12 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.11 | CX LogP: 4.55 | CX LogD: 4.55 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.70 | Np Likeness Score: -0.55 |
References
| 1. Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz V, Pérez DI, Cabezas N, Martínez A, Martín MA, Andrisano V, Legname G, Menéndez JC, Bolognesi ML.. (2013) A Fluorescent Styrylquinoline with Combined Therapeutic and Diagnostic Activities against Alzheimer's and Prion Diseases., 4 (2): [PMID:24900645] [10.1021/ml3003605] |
Source
Source(1):