| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4107302
Max Phase: Preclinical
Molecular Formula: C20H23N3O3
Molecular Weight: 353.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CN1CCO[C@@H](COc2ccccn2)C1)N1CCc2ccccc21
Standard InChI: InChI=1S/C20H23N3O3/c24-20(23-10-8-16-5-1-2-6-18(16)23)14-22-11-12-25-17(13-22)15-26-19-7-3-4-9-21-19/h1-7,9,17H,8,10-15H2/t17-/m1/s1
Standard InChI Key: UYEFMPKULUMHBG-QGZVFWFLSA-N
Associated Targets(non-human)
Serotonin 1a (5-HT1a) receptor 193 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: 353.42 | Molecular Weight (Monoisotopic): 353.1739 | AlogP: 1.75 | #Rotatable Bonds: 5 |
| Polar Surface Area: 54.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.08 | CX LogP: 1.87 | CX LogD: 1.87 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.82 | Np Likeness Score: -1.79 |
References
| 1. (2015) Morpholino compounds, uses and methods, |
Source
Source(1):