| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3559410
Max Phase: Preclinical
Molecular Formula: C7H13NO4
Molecular Weight: 175.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](CC(=O)O)[C@H](N)C(=O)O
Standard InChI: InChI=1S/C7H13NO4/c1-2-4(3-5(9)10)6(8)7(11)12/h4,6H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t4-,6-/m0/s1
Standard InChI Key: VIRPQHVGJLUBRH-NJGYIYPDSA-N
Associated Targets(Human)
Glutamate receptor ionotropic kainate 2 368 Activities
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: 175.18 | Molecular Weight (Monoisotopic): 175.0845 | AlogP: -0.10 | #Rotatable Bonds: 5 |
| Polar Surface Area: 100.62 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.13 | CX Basic pKa: 9.59 | CX LogP: -2.44 | CX LogD: -5.20 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.54 | Np Likeness Score: 1.02 |
References
| 1. Schiavini P, Dawe GB, Bowie D, Moitessier N.. (2015) Discovery of novel small-molecule antagonists for GluK2., 25 (11): [PMID:25913117] [10.1016/j.bmcl.2015.04.008] |
Source
Source(1):