| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4535940
Max Phase: Preclinical
Molecular Formula: C21H27N3O
Molecular Weight: 337.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CNCC[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1
Standard InChI: InChI=1S/C21H27N3O/c1-22-14-13-19(17-8-3-2-4-9-17)23-16-21(25)24-15-7-11-18-10-5-6-12-20(18)24/h2-6,8-10,12,19,22-23H,7,11,13-16H2,1H3/t19-/m0/s1
Standard InChI Key: LREBJYGJOASYGB-IBGZPJMESA-N
Associated Targets(Human)
Metabotropic glutamate receptor 7 376 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: 337.47 | Molecular Weight (Monoisotopic): 337.2154 | AlogP: 2.91 | #Rotatable Bonds: 7 |
| Polar Surface Area: 44.37 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.87 | CX LogP: 2.55 | CX LogD: 0.11 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.82 | Np Likeness Score: -0.79 |
References
| 1. Vázquez-Villa H, Trabanco AA.. (2019) Progress toward allosteric ligands of metabotropic glutamate 7 (mGlu7) receptor: 2008-present., 10 (2): [PMID:30881607] [10.1039/C8MD00524A] |
Source
Source(1):