| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5199680
Max Phase: Preclinical
Molecular Formula: C14H19ClFNO
Molecular Weight: 235.30
Associated Items:
Representations
Canonical SMILES: Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1COC1CC1
Standard InChI: InChI=1S/C14H18FNO.ClH/c15-11-2-1-9(8-17-12-3-4-12)14(6-11)13-5-10(13)7-16;/h1-2,6,10,12-13H,3-5,7-8,16H2;1H/t10-,13+;/m1./s1
Standard InChI Key: ADLFNEXKFXVVHK-HTKOBJQYSA-N
Associated Targets(Human)
Serotonin 1a (5-HT1a) receptor 14969 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: 235.30 | Molecular Weight (Monoisotopic): 235.1372 | AlogP: 2.57 | #Rotatable Bonds: 5 |
| Polar Surface Area: 35.25 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.05 | CX LogP: 2.06 | CX LogD: -0.44 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.85 | Np Likeness Score: -0.03 |
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):