| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4556629
Max Phase: Preclinical
Molecular Formula: C19H20FNO4S
Molecular Weight: 377.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](C(=O)NC1COc2ccccc2C1S(C)(=O)=O)c1ccc(F)cc1
Standard InChI: InChI=1S/C19H20FNO4S/c1-12(13-7-9-14(20)10-8-13)19(22)21-16-11-25-17-6-4-3-5-15(17)18(16)26(2,23)24/h3-10,12,16,18H,11H2,1-2H3,(H,21,22)/t12-,16?,18?/m0/s1
Standard InChI Key: DKLUNKKXISSMIY-KIAYWQFFSA-N
Associated Targets(Human)
Metabotropic glutamate receptor 7 376 Activities
Associated Targets(non-human)
Metabotropic glutamate receptor 7 2 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 377.44 | Molecular Weight (Monoisotopic): 377.1097 | AlogP: 2.59 | #Rotatable Bonds: 4 |
| Polar Surface Area: 72.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.72 | CX Basic pKa: | CX LogP: 2.06 | CX LogD: 2.06 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.89 | Np Likeness Score: -0.63 |
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):