| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2017) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N07XX14 |
| UNII: | S798V6YJRP |
Structure
| InChI Key | QELUYTUMUWHWMC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.2 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.67 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 34000 | - | - | 7 | |
|
Enzyme
Phosphatase
|
- | - | - | - | 15 | |
|
Membrane receptor
|
- | - | - | - | 17-20 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
| Cerebral Hemorrhage | 2 | D002543 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Brain Injuries | 2 | D001930 | ClinicalTrials |
| Kidney Diseases | 1 | D007674 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89-25-8 |
| ChEBI | 31530 |
| ChEMBL | CHEMBL290916 |
| DrugBank | DB12243 |
| DrugCentral | 4156 |
| EPA CompTox | DTXSID9021130 |
| FDA SRS | S798V6YJRP |
| KEGG | C13008 |
| PDB | W1P |
| PubChem | 4021 |
| SureChEMBL | SCHEMBL4704 |
| ZINC | ZINC000018203737 |
CONTENTS