| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | V03AC02 |
| UNII: | 2BTY8KH53L |
Structure
| InChI Key | TZXKOCQBRNJULO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.15 |
| AlogP | 0.4 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 42.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 5000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hemochromatosis | 3 | D006432 | ClinicalTrials |
| Pantothenate Kinase-Associated Neurodegeneration | 3 | D006211 | ClinicalTrials |
| Acute Kidney Injury | 3 | D058186 | ClinicalTrials |
| Amyotrophic Lateral Sclerosis | 2 | D000690 | ClinicalTrials |
| Friedreich Ataxia | 2 | D005621 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| beta-Thalassemia | 2 | D017086 | ClinicalTrials |
| Dementia | 2 | D003704 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
| Cognitive Dysfunction | 0 | D060825 | ClinicalTrials |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 30652-11-0 |
| ChEBI | 68554 |
| ChEMBL | CHEMBL70927 |
| DrugBank | DB08826 |
| DrugCentral | 4188 |
| EPA CompTox | DTXSID6040666 |
| FDA SRS | 2BTY8KH53L |
| Guide to Pharmacology | 7456 |
| PharmGKB | PA166118041 |
| PubChem | 2972 |
| SureChEMBL | SCHEMBL94474 |
| ZINC | ZINC000000006226 |
CONTENTS