| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5197851
Max Phase: Preclinical
Molecular Formula: C19H26ClNO2
Molecular Weight: 299.41
Associated Items:
Representations
Canonical SMILES: COc1cc2c(cc1OC)C1CC3(N)CC4(C)CC2C1(C4)C3.Cl
Standard InChI: InChI=1S/C19H25NO2.ClH/c1-17-6-13-11-4-15(21-2)16(22-3)5-12(11)14-7-18(20,8-17)10-19(13,14)9-17;/h4-5,13-14H,6-10,20H2,1-3H3;1H
Standard InChI Key: YHVGAGPWKCQYFQ-UHFFFAOYSA-N
Associated Targets(non-human)
Glutamate NMDA receptor 6467 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: 299.41 | Molecular Weight (Monoisotopic): 299.1885 | AlogP: 3.57 | #Rotatable Bonds: 2 |
| Polar Surface Area: 44.48 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.53 | CX LogP: 2.33 | CX LogD: -0.45 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.91 | Np Likeness Score: 0.86 |
References
| 1. Turcu AL, Companys-Alemany J, Phillips MB, Patel DS, Griñán-Ferré C, Loza MI, Brea JM, Pérez B, Soto D, Sureda FX, Kurnikova MG, Johnson JW, Pallàs M, Vázquez S.. (2022) Design, synthesis, and in vitro and in vivo characterization of new memantine analogs for Alzheimer's disease., 236 [PMID:35453065] [10.1016/j.ejmech.2022.114354] |
Source
Source(1):