| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4283700
Max Phase: Preclinical
Molecular Formula: C13H22N2O3
Molecular Weight: 254.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC12CC3CC(N)(C1)CC(CO[N+](=O)[O-])(C3)C2
Standard InChI: InChI=1S/C13H22N2O3/c1-2-11-3-10-4-12(6-11,9-18-15(16)17)8-13(14,5-10)7-11/h10H,2-9,14H2,1H3
Standard InChI Key: SMQKXZANDYJHBO-UHFFFAOYSA-N
Associated Targets(non-human)
Aorta 2975 Activities
Cortical neurone 598 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 254.33 | Molecular Weight (Monoisotopic): 254.1630 | AlogP: 2.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.39 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.69 | CX LogP: 1.93 | CX LogD: -0.91 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.62 | Np Likeness Score: 0.21 |
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):