| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5206987
Max Phase: Preclinical
Molecular Formula: C24H32N2O
Molecular Weight: 364.53
Associated Items:
Representations
Canonical SMILES: [11CH3]Oc1cccc2c1CCCC2CCCN1CCN(c2ccccc2)CC1
Standard InChI: InChI=1S/C24H32N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3/i1-1
Standard InChI Key: JGCUFOXBUYJGBX-BJUDXGSMSA-N
Associated Targets(Human)
Alpha-1a adrenergic receptor 8359 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: 364.53 | Molecular Weight (Monoisotopic): 364.2515 | AlogP: 4.72 | #Rotatable Bonds: 6 |
| Polar Surface Area: 15.71 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.53 | CX LogP: 5.45 | CX LogD: 4.30 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.74 | Np Likeness Score: -0.66 |
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):