| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5202551
Max Phase: Preclinical
Molecular Formula: C18H32Cl2N2
Molecular Weight: 274.45
Associated Items:
Representations
Canonical SMILES: Cl.Cl.NCCCCCCNC1(c2ccccc2)CCCCC1
Standard InChI: InChI=1S/C18H30N2.2ClH/c19-15-9-1-2-10-16-20-18(13-7-4-8-14-18)17-11-5-3-6-12-17;;/h3,5-6,11-12,20H,1-2,4,7-10,13-16,19H2;2*1H
Standard InChI Key: UBXBVLMPVGSILC-UHFFFAOYSA-N
Associated Targets(Human)
Glutamate [NMDA] receptor 933 Activities
Glutamate receptor ionotropic AMPA 265 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 274.45 | Molecular Weight (Monoisotopic): 274.2409 | AlogP: 3.95 | #Rotatable Bonds: 8 |
| Polar Surface Area: 38.05 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.46 | CX LogP: 3.92 | CX LogD: -1.27 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.70 | Np Likeness Score: -0.15 |
References
| 1. Kumar N, Kumar V, Anand P, Kumar V, Ranjan Dwivedi A, Kumar V.. (2022) Advancements in the development of multi-target directed ligands for the treatment of Alzheimer's disease., 61 [PMID:35398739] [10.1016/j.bmc.2022.116742] |
Source
Source(1):