| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4755560
Max Phase: Preclinical
Molecular Formula: C15H13N
Molecular Weight: 207.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1ccc2c(c1)C[C@H]1N[C@@H]2c2ccccc21
Standard InChI: InChI=1S/C15H13N/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15(11)16-14/h1-8,14-16H,9H2/t14-,15+/m1/s1
Standard InChI Key: SAWOLAINNGNEPL-CABCVRRESA-N
Associated Targets(Human)
Glutamate [NMDA] receptor 933 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 207.28 | Molecular Weight (Monoisotopic): 207.1048 | AlogP: 2.98 | #Rotatable Bonds: 0 |
| Polar Surface Area: 12.03 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.93 | CX LogP: 3.17 | CX LogD: 2.52 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.70 | Np Likeness Score: 0.60 |
References
| 1. Espadinha M,Viejo L,Lopes RMRM,Herrera-Arozamena C,Molins E,Dos Santos DJVA,Gonçalves L,Rodríguez-Franco MI,Ríos CL,Santos MMM. (2020) Identification of tetracyclic lactams as NMDA receptor antagonists with potential application in neurological disorders., 194 [PMID:32248004] [10.1016/j.ejmech.2020.112242] |
Source
Source(1):