| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4443735
Max Phase: Preclinical
Molecular Formula: C21H21FN2O2
Molecular Weight: 352.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NCc1ccccc1F)C1c2ccccc2CC(=O)N1CC1CC1
Standard InChI: InChI=1S/C21H21FN2O2/c22-18-8-4-2-6-16(18)12-23-21(26)20-17-7-3-1-5-15(17)11-19(25)24(20)13-14-9-10-14/h1-8,14,20H,9-13H2,(H,23,26)
Standard InChI Key: NZYITNACBRISGU-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: 352.41 | Molecular Weight (Monoisotopic): 352.1587 | AlogP: 2.98 | #Rotatable Bonds: 5 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.71 | CX Basic pKa: | CX LogP: 2.76 | CX LogD: 2.76 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.90 | Np Likeness Score: -1.06 |
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):