| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4456545
Max Phase: Preclinical
Molecular Formula: C22H26N2O2
Molecular Weight: 350.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(C[C@H](NCC1CC1)c1ccccc1)N1CCCOc2ccccc21
Standard InChI: InChI=1S/C22H26N2O2/c25-22(24-13-6-14-26-21-10-5-4-9-20(21)24)15-19(23-16-17-11-12-17)18-7-2-1-3-8-18/h1-5,7-10,17,19,23H,6,11-16H2/t19-/m0/s1
Standard InChI Key: FRJSFWUQFAITAN-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: 350.46 | Molecular Weight (Monoisotopic): 350.1994 | AlogP: 3.93 | #Rotatable Bonds: 6 |
| Polar Surface Area: 41.57 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.09 | CX LogP: 3.12 | CX LogD: 1.43 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.86 | Np Likeness Score: -0.87 |
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):