| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA6649
Max Phase: Preclinical
Molecular Formula: C17H20N2
Molecular Weight: 252.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNCC1NCC(c2ccccc2)c2ccccc21
Standard InChI: InChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3
Standard InChI Key: UYHHYORUPUOBTL-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: 252.36 | Molecular Weight (Monoisotopic): 252.1626 | AlogP: 2.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 24.06 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.25 | CX LogP: 2.77 | CX LogD: 0.91 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.88 | Np Likeness Score: 0.61 |
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] |
| 2. 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):