| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA343178
Max Phase: Preclinical
Molecular Formula: C18H23N3O6
Molecular Weight: 377.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2[nH]c(=O)c(=O)n(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c2cc1C
Standard InChI: InChI=1S/C18H23N3O6/c1-9-6-11-13(7-10(9)2)21(16(25)14(23)19-11)15(24)12(8-22)20-17(26)27-18(3,4)5/h6-7,12,22H,8H2,1-5H3,(H,19,23)(H,20,26)/t12-/m1/s1
Standard InChI Key: UGEQXOVPUYDFPG-GFCCVEGCSA-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 |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 377.40 | Molecular Weight (Monoisotopic): 377.1587 | AlogP: 0.83 | #Rotatable Bonds: 3 |
| Polar Surface Area: 130.49 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.46 | CX Basic pKa: | CX LogP: 1.38 | CX LogD: 1.37 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.68 | Np Likeness Score: -0.57 |
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):