| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA6528
Max Phase: Preclinical
Molecular Formula: C19H24N2
Molecular Weight: 280.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)CC1c2ccccc2C(c2ccccc2)CN1C
Standard InChI: InChI=1S/C19H24N2/c1-20(2)14-19-17-12-8-7-11-16(17)18(13-21(19)3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3
Standard InChI Key: RJXXPJSDBLRNBL-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: 280.42 | Molecular Weight (Monoisotopic): 280.1939 | AlogP: 3.37 | #Rotatable Bonds: 3 |
| Polar Surface Area: 6.48 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.98 | CX LogP: 3.53 | CX LogD: 1.94 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.85 | Np Likeness Score: -0.02 |
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):