| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3THM379K8A |
Structure
| InChI Key | RADKZDMFGJYCBB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.16 |
| AlogP | 0.4 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 70.42 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | 30000 | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 17310 |
| ChEMBL | CHEMBL102970 |
| DrugBank | DB00147 |
| DrugCentral | 4134 |
| EPA CompTox | DTXSID4046020 |
| FDA SRS | 3THM379K8A |
| Human Metabolome Database | HMDB0001545 |
| KEGG | C00250 |
| PDB | PXL |
| PharmGKB | PA164749166 |
| PubChem | 1050 |
| SureChEMBL | SCHEMBL29906 |
| ZINC | ZINC000000120249 |
CONTENTS