| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4215516
Max Phase: Preclinical
Molecular Formula: C16H32Cl2N2
Molecular Weight: 250.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC12CC3CC(C)(C1)CC(NCCCCN)(C3)C2.Cl.Cl
Standard InChI: InChI=1S/C16H30N2.2ClH/c1-14-7-13-8-15(2,10-14)12-16(9-13,11-14)18-6-4-3-5-17;;/h13,18H,3-12,17H2,1-2H3;2*1H
Standard InChI Key: NYLBUOLMNQTFMP-UHFFFAOYSA-N
Associated Targets(non-human)
Glutamate NMDA receptor; Grin1/Grin2a 798 Activities
Glutamate NMDA receptor; Grin1/Grin2b 1028 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 |
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Properties
| Molecular Weight: 250.43 | Molecular Weight (Monoisotopic): 250.2409 | AlogP: 3.06 | #Rotatable Bonds: 5 |
| 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: 11.22 | CX LogP: 2.28 | CX LogD: -3.45 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.74 | Np Likeness Score: 0.02 |
References
| 1. Kumamoto T, Nakajima M, Uga R, Ihayazaka N, Kashihara H, Katakawa K, Ishikawa T, Saiki R, Nishimura K, Igarashi K.. (2018) Design, synthesis, and evaluation of polyamine-memantine hybrids as NMDA channel blockers., 26 (3): [PMID:29277306] [10.1016/j.bmc.2017.12.021] |
Source
Source(1):