| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267475
Max Phase: Preclinical
Molecular Formula: C18H22N4
Molecular Weight: 294.40
Associated Items:
Representations
Canonical SMILES: CN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2)CC1
Standard InChI: InChI=1S/C18H22N4/c1-21-11-13-22(14-12-21)18-9-7-16(8-10-18)15-19-20-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3/b19-15+
Standard InChI Key: SHZWMGOYFVBFCQ-XDJHFCHBSA-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: 294.40 | Molecular Weight (Monoisotopic): 294.1844 | AlogP: 2.88 | #Rotatable Bonds: 4 |
| Polar Surface Area: 30.87 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.90 | CX LogP: 3.76 | CX LogD: 2.98 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.69 | Np Likeness Score: -1.65 |
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):