| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4590357
Max Phase: Preclinical
Molecular Formula: C20H20N4O
Molecular Weight: 332.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCn1cc2c(n1)C(=O)N(C)Cc1ccc(-c3cccnc3C)cc1-2
Standard InChI: InChI=1S/C20H20N4O/c1-4-24-12-18-17-10-14(16-6-5-9-21-13(16)2)7-8-15(17)11-23(3)20(25)19(18)22-24/h5-10,12H,4,11H2,1-3H3
Standard InChI Key: CXGMELZHEJKZMF-UHFFFAOYSA-N
Associated Targets(Human)
Metabotropic glutamate receptor 3 732 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: 332.41 | Molecular Weight (Monoisotopic): 332.1637 | AlogP: 3.53 | #Rotatable Bonds: 2 |
| Polar Surface Area: 51.02 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.50 | CX LogP: 2.40 | CX LogD: 2.40 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.72 | Np Likeness Score: -0.70 |
References
| 1. Kargbo RB.. (2019) Allosteric mGluR3 Modulators for the Treatment of Psychiatric Disorders., 10 (2): [PMID:30783491] [10.1021/acsmedchemlett.8b00619] |
Source
Source(1):