| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2112770
Max Phase: Preclinical
Molecular Formula: C10H13NO5S
Molecular Weight: 87.08
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)O)cc1.N[C@H]1COC1=O
Standard InChI: InChI=1S/C7H8O3S.C3H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-6-3(2)5/h2-5H,1H3,(H,8,9,10);2H,1,4H2/t;2-/m.0/s1
Standard InChI Key: AHPNSUJOZQROEQ-WNQIDUERSA-N
Associated Targets(non-human)
Glutamate receptor ionotropic, kainate 722 Activities
Glutamate receptor ionotropic, AMPA 2103 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: Small molecule | 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: 87.08 | Molecular Weight (Monoisotopic): 87.0320 | AlogP: -1.13 | #Rotatable Bonds: 0 |
| Polar Surface Area: 52.32 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.37 | CX LogP: -0.96 | CX LogD: -1.00 |
| Aromatic Rings: 0 | Heavy Atoms: 6 | QED Weighted: 0.38 | Np Likeness Score: 1.50 |
References
| 1. Sun G, Uretsky NJ, Wallace LJ, Shams G, Weinstein DM, Miller DD.. (1996) Synthesis of chiral 1-(2'-amino-2'-carboxyethyl)-1,4-dihydro-6,7-quinoxaline-2,3-diones: alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionate receptor agonists and antagonists., 39 (22): [PMID:8893837] [10.1021/jm950632+] |
Source
Source(1):