| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4280560
Max Phase: Preclinical
Molecular Formula: C12H19N3O6
Molecular Weight: 301.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC12CC3CC(CO[N+](=O)[O-])(C1)CC(CO[N+](=O)[O-])(C3)C2
Standard InChI: InChI=1S/C12H19N3O6/c13-12-3-9-1-10(5-12,7-20-14(16)17)4-11(2-9,6-12)8-21-15(18)19/h9H,1-8,13H2
Standard InChI Key: PHNDBLVSIRMDAO-UHFFFAOYSA-N
Associated Targets(non-human)
Aorta 2975 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 301.30 | Molecular Weight (Monoisotopic): 301.1274 | AlogP: 1.07 | #Rotatable Bonds: 6 |
| Polar Surface Area: 130.76 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.69 | CX LogP: 0.90 | CX LogD: -1.94 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.57 | Np Likeness Score: 0.07 |
References
| 1. Liu Z, Yang S, Jin X, Zhang G, Guo B, Chen H, Yu P, Sun Y, Zhang Z, Wang Y.. (2017) Synthesis and biological evaluation of memantine nitrates as a potential treatment for neurodegenerative diseases., 8 (1): [PMID:30108699] [10.1039/C6MD00509H] |
Source
Source(1):