| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA540195
Max Phase: Preclinical
Molecular Formula: C19H22N2O
Molecular Weight: 294.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1
Standard InChI: InChI=1S/C19H22N2O/c1-20-10-11-21-12-18(14-6-8-15(22)9-7-14)16-4-2-3-5-17(16)19(21)13-20/h2-9,18-19,22H,10-13H2,1H3
Standard InChI Key: KNYDPQMSVNKMHO-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: 294.40 | Molecular Weight (Monoisotopic): 294.1732 | AlogP: 2.83 | #Rotatable Bonds: 1 |
| Polar Surface Area: 26.71 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.05 | CX Basic pKa: 8.08 | CX LogP: 3.06 | CX LogD: 2.29 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.88 | Np Likeness Score: 0.09 |
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):