| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1288796
Max Phase: Preclinical
Molecular Formula: C14H15ClN2
Molecular Weight: 246.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc2c(NC3CCCC3)ccnc2c1
Standard InChI: InChI=1S/C14H15ClN2/c15-10-5-6-12-13(7-8-16-14(12)9-10)17-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,16,17)
Standard InChI Key: ZVSVCLNPECDDKD-UHFFFAOYSA-N
Associated Targets(non-human)
Major prion protein 73 Activities
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 |
|---|
Properties
| Molecular Weight: 246.74 | Molecular Weight (Monoisotopic): 246.0924 | AlogP: 4.24 | #Rotatable Bonds: 2 |
| Polar Surface Area: 24.92 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.28 | CX LogP: 3.56 | CX LogD: 3.33 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.86 | Np Likeness Score: -1.18 |
References
| 1. Macedo B, Kaschula CH, Hunter R, Chaves JA, van der Merwe JD, Silva JL, Egan TJ, Cordeiro Y.. (2010) Synthesis and anti-prion activity evaluation of aminoquinoline analogues., 45 (11): [PMID:20797807] [10.1016/j.ejmech.2010.07.054] |
Source
Source(1):