| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4532011
Max Phase: Preclinical
Molecular Formula: C21H19FN4O2
Molecular Weight: 378.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COCn1cc2c(n1)C(=O)N(C)C1(CC1)c1ccc(-c3ccc(F)nc3)cc1-2
Standard InChI: InChI=1S/C21H19FN4O2/c1-25-20(27)19-16(11-26(24-19)12-28-2)15-9-13(14-4-6-18(22)23-10-14)3-5-17(15)21(25)7-8-21/h3-6,9-11H,7-8,12H2,1-2H3
Standard InChI Key: ZUMVAQQTFYFCPI-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: 378.41 | Molecular Weight (Monoisotopic): 378.1492 | AlogP: 3.43 | #Rotatable Bonds: 3 |
| Polar Surface Area: 60.25 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.07 | CX LogP: 2.90 | CX LogD: 2.90 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.66 | Np Likeness Score: -0.34 |
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):