| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5279769
Max Phase: Preclinical
Molecular Formula: C15H17NO4
Molecular Weight: 275.30
Associated Items:
Representations
Canonical SMILES: O=c1cc(OCCN2CCOCC2)c2ccccc2o1
Standard InChI: InChI=1S/C15H17NO4/c17-15-11-14(12-3-1-2-4-13(12)20-15)19-10-7-16-5-8-18-9-6-16/h1-4,11H,5-10H2
Standard InChI Key: YDEKYDSVGJEDFH-UHFFFAOYSA-N
Associated Targets(Human)
Monoamine oxidase B 8835 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: 275.30 | Molecular Weight (Monoisotopic): 275.1158 | AlogP: 1.50 | #Rotatable Bonds: 4 |
| Polar Surface Area: 51.91 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.41 | CX LogP: 0.94 | CX LogD: 0.90 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.79 | Np Likeness Score: -0.79 |
References
| 1. Manzoor S, Hoda N.. (2020) A comprehensive review of monoamine oxidase inhibitors as Anti-Alzheimer's disease agents: A review., 206 [PMID:32942081] [10.1016/j.ejmech.2020.112787] |
Source
Source(1):