| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4575681
Max Phase: Preclinical
Molecular Formula: C24H24N2O
Molecular Weight: 356.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CNC(c1ccccc1)c1ccccc1)N1CCCc2ccccc21
Standard InChI: InChI=1S/C24H24N2O/c27-23(26-17-9-15-19-10-7-8-16-22(19)26)18-25-24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,16,24-25H,9,15,17-18H2
Standard InChI Key: KHQZZUIMFGYJMJ-UHFFFAOYSA-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: 356.47 | Molecular Weight (Monoisotopic): 356.1889 | AlogP: 4.35 | #Rotatable Bonds: 5 |
| Polar Surface Area: 32.34 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.42 | CX LogP: 4.58 | CX LogD: 4.27 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.74 | Np Likeness Score: -1.12 |
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):