| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5205533
Max Phase: Preclinical
Molecular Formula: C18H19FN2O3S
Molecular Weight: 362.43
Associated Items:
Representations
Canonical SMILES: CN(C)CCOc1cccc2c1ccn2S(=O)(=O)c1ccc([18F])cc1
Standard InChI: InChI=1S/C18H19FN2O3S/c1-20(2)12-13-24-18-5-3-4-17-16(18)10-11-21(17)25(22,23)15-8-6-14(19)7-9-15/h3-11H,12-13H2,1-2H3/i19-1
Standard InChI Key: HDOVHTLBNUOVCD-AWDFDDCISA-N
Associated Targets(Human)
Serotonin 6 (5-HT6) receptor 9749 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 362.43 | Molecular Weight (Monoisotopic): 362.1100 | AlogP: 2.96 | #Rotatable Bonds: 6 |
| Polar Surface Area: 51.54 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.72 | CX LogP: 3.01 | CX LogD: 1.67 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.68 | Np Likeness Score: -1.56 |
References
| 1. Fu H, Rong J, Chen Z, Zhou J, Collier T, Liang SH.. (2022) Positron Emission Tomography (PET) Imaging Tracers for Serotonin Receptors., 65 (16.0): [PMID:35939391] [10.1021/acs.jmedchem.2c00633] |
Source
Source(1):