| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2333247
Max Phase: Preclinical
Molecular Formula: C25H25FN2O2
Molecular Weight: 404.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1cccc(COc2ccccc2/C=N/OC2CCN(Cc3ccccc3)C2)c1
Standard InChI: InChI=1S/C25H25FN2O2/c26-23-11-6-9-21(15-23)19-29-25-12-5-4-10-22(25)16-27-30-24-13-14-28(18-24)17-20-7-2-1-3-8-20/h1-12,15-16,24H,13-14,17-19H2/b27-16+
Standard InChI Key: JEVBLYOOXYADDX-JVWAILMASA-N
Associated Targets(non-human)
H22 575 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: 404.49 | Molecular Weight (Monoisotopic): 404.1900 | AlogP: 5.03 | #Rotatable Bonds: 8 |
| Polar Surface Area: 34.06 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 7.76 | CX LogP: 5.47 | CX LogD: 4.96 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.39 | Np Likeness Score: -1.37 |
References
| 1. Kim YS, Jung SH, Park BG, Ko MK, Jang HS, Choi K, Baik JH, Lee J, Lee JK, Pae AN, Cho YS, Min SJ.. (2013) Synthesis and evaluation of oxime derivatives as modulators for amyloid beta-induced mitochondrial dysfunction., 62 [PMID:23353734] [10.1016/j.ejmech.2012.12.033] |
Source
Source(1):