| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA414182
Max Phase: Preclinical
Molecular Formula: C18H22N2
Molecular Weight: 266.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)CC1NCC(c2ccccc2)c2ccccc21
Standard InChI: InChI=1S/C18H22N2/c1-20(2)13-18-16-11-7-6-10-15(16)17(12-19-18)14-8-4-3-5-9-14/h3-11,17-19H,12-13H2,1-2H3
Standard InChI Key: KEUSBNOLUMCSQJ-UHFFFAOYSA-N
Associated Targets(non-human)
Muscarinic acetylcholine receptor M5 132 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: 266.39 | Molecular Weight (Monoisotopic): 266.1783 | AlogP: 3.02 | #Rotatable Bonds: 3 |
| Polar Surface Area: 15.27 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.85 | CX LogP: 3.15 | CX LogD: 1.69 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.92 | Np Likeness Score: 0.15 |
References
| 1. Griffith RC, Gentile RJ, Robichaud RC, Frankenheim J.. (1984) cis-1,3,4,6,7,11b-Hexahydro-2-methyl-7-phenyl-2H-pyrazino[2,1-a] isoquinoline: a new atypical antidepressant., 27 (8): [PMID:6747997] [10.1021/jm00374a011] |
Source
Source(1):