| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5201016
Max Phase: Preclinical
Molecular Formula: C23H29N3O
Molecular Weight: 363.51
Associated Items:
Representations
Canonical SMILES: Cc1ccc(N2CCN(CCCCC3C(=O)Nc4ccccc43)CC2)cc1
Standard InChI: InChI=1S/C23H29N3O/c1-18-9-11-19(12-10-18)26-16-14-25(15-17-26)13-5-4-7-21-20-6-2-3-8-22(20)24-23(21)27/h2-3,6,8-12,21H,4-5,7,13-17H2,1H3,(H,24,27)
Standard InChI Key: CKVWSZXKFYZQFF-UHFFFAOYSA-N
Associated Targets(Human)
Serotonin 7 (5-HT7) receptor 5576 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: 363.51 | Molecular Weight (Monoisotopic): 363.2311 | AlogP: 4.02 | #Rotatable Bonds: 6 |
| Polar Surface Area: 35.58 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.34 | CX Basic pKa: 8.55 | CX LogP: 4.47 | CX LogD: 3.30 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.79 | Np Likeness Score: -0.88 |
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):