| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A16AA01 |
| UNII: | 0G389FZZ9M |
Structure
| InChI Key | PHIQHXFUZVPYII-ZCFIWIBFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H15NO3 |
| Molecular Weight | 161.2 |
| AlogP | -1.81 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 60.36 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | 100000 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pyelonephritis | 3 | D011704 | ClinicalTrials |
| Lipid Metabolism Disorders | 3 | D052439 | ClinicalTrials |
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
| Peripheral Arterial Disease | 3 | D058729 | ClinicalTrials |
| Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
| Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
| Sarcopenia | 3 | D055948 | ClinicalTrials |
| Gastrointestinal Stromal Tumors | 3 | D046152 | ClinicalTrials |
| Muscular Atrophy, Spinal | 3 | D009134 | ClinicalTrials |
| Hyperthyroidism | 3 | D006980 | ClinicalTrials |
| Cytomegalovirus Infections | 3 | D003586 | ClinicalTrials |
| Acute Kidney Injury | 3 | D058186 | ClinicalTrials |
| Spinal Cord Injuries | 2 | D013119 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| beta-Thalassemia | 2 | D017086 | ClinicalTrials |
| Renal Insufficiency, Chronic | 2 | D051436 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Non-alcoholic Fatty Liver Disease | 2 | D065626 | ClinicalTrials |
| Acquired Immunodeficiency Syndrome | 2 | D000163 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Polycystic Ovary Syndrome | 2 | D011085 | ClinicalTrials |
| Muscle Cramp | 2 | D009120 | ClinicalTrials |
| Shock, Septic | 1 | D012772 | ClinicalTrials |
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 541-15-1 |
| ChEBI | 16347 |
| ChEMBL | CHEMBL1149 |
| DrugBank | DB00583 |
| DrugCentral | 513 |
| EPA CompTox | DTXSID4023208 |
| FDA SRS | 0G389FZZ9M |
| Human Metabolome Database | HMDB0000062 |
| Guide to Pharmacology | 4780 |
| KEGG | C00318 |
| PDB | 152 |
| PharmGKB | PA450154 |
| PubChem | 10917 |
| SureChEMBL | SCHEMBL21970 |
| ZINC | ZINC03079340 |
CONTENTS