| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4447269
Max Phase: Preclinical
Molecular Formula: C26H35N3O2
Molecular Weight: 421.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CNC(=O)N1CCCC(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1
Standard InChI: InChI=1S/C26H35N3O2/c1-27-26(30)29-16-8-9-21(20-29)19-28-17-14-24(15-18-28)31-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-25H,8-9,14-20H2,1H3,(H,27,30)
Standard InChI Key: HEYPOORFOFYNED-UHFFFAOYSA-N
Associated Targets(Human)
Metabotropic glutamate receptor 7 376 Activities
Metabotropic glutamate receptor 3 732 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Metabotropic glutamate receptor 5 5733 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 421.59 | Molecular Weight (Monoisotopic): 421.2729 | AlogP: 4.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 44.81 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.31 | CX LogP: 3.31 | CX LogD: 1.41 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.76 | Np Likeness Score: -0.81 |
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):