| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 4SR0Q8YD1X |
Structure
| InChI Key | CKLJMWTZIZZHCS-UWTATZPHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7NO4 |
| Molecular Weight | 133.1 |
| AlogP | -1.13 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 100.62 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 9.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 10000 | - | - | - | |
|
Transporter
Electrochemical transporter
|
- | - | 10 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis, Relapsing-Remitting | 2 | D020529 | ClinicalTrials |
| Brain Injuries | 0 | D001930 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 17364 |
| ChEMBL | CHEMBL29757 |
| DrugBank | DB02655 |
| EPA CompTox | DTXSID2045650 |
| FDA SRS | 4SR0Q8YD1X |
| Human Metabolome Database | HMDB0006483 |
| Guide to Pharmacology | 6511 |
| KEGG | C00402 |
| PDB | DAS |
| SureChEMBL | SCHEMBL145539 |
| ZINC | ZINC000000895218 |
CONTENTS