| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4451213
Max Phase: Preclinical
Molecular Formula: C21H16FN3O
Molecular Weight: 345.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN1C(=O)c2ncccc2-c2cc(-c3ccc(F)nc3)ccc2C12CC2
Standard InChI: InChI=1S/C21H16FN3O/c1-25-20(26)19-15(3-2-10-23-19)16-11-13(14-5-7-18(22)24-12-14)4-6-17(16)21(25)8-9-21/h2-7,10-12H,8-9H2,1H3
Standard InChI Key: PCKLKLKHDKJMKN-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: 345.38 | Molecular Weight (Monoisotopic): 345.1277 | AlogP: 4.02 | #Rotatable Bonds: 1 |
| Polar Surface Area: 46.09 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.83 | CX LogP: 3.19 | CX LogD: 3.19 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.63 | Np Likeness Score: -0.20 |
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):