| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4115017
Max Phase: Preclinical
Molecular Formula: C22H27N3O3
Molecular Weight: 381.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1
Standard InChI: InChI=1S/C22H27N3O3/c1-16-12-18-6-3-4-7-20(18)25(16)22(26)14-24-10-11-27-19(13-24)15-28-21-8-5-9-23-17(21)2/h3-9,16,19H,10-15H2,1-2H3/t16?,19-/m1/s1
Standard InChI Key: COXVGVOSFMXIOC-LRTDYKAYSA-N
Associated Targets(non-human)
Serotonin 1a (5-HT1a) receptor 193 Activities
Serotonin 2b (5-HT2b) receptor 25 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 381.48 | Molecular Weight (Monoisotopic): 381.2052 | AlogP: 2.45 | #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: 5.79 | CX LogP: 1.82 | CX LogD: 1.81 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.80 | Np Likeness Score: -1.31 |
References
| 1. (2015) Morpholino compounds, uses and methods, |
Source
Source(1):