| Trade Names: | |
| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A06AD18 |
| UNII: | 506T60A25R |
Structure
| InChI Key | FBPFZTCFMRRESA-JGWLITMVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O6 |
| Molecular Weight | 182.17 |
| AlogP | -3.59 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 121.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 38 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Constipation | 4 | D003248 | ClinicalTrials |
| Charcot-Marie-Tooth Disease | 3 | D002607 | ClinicalTrials |
| Osteoarthritis | 2 | D010003 | ClinicalTrials |
| Non-alcoholic Fatty Liver Disease | 2 | D065626 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Pain | 1 | D010146 | ClinicalTrials |
| Bacterial Infections | 1 | D001424 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials |
Related Entries
Adverse Reactions
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50-70-4 |
| ChEBI | 17924 |
| ChEMBL | CHEMBL1682 |
| DrugBank | DB01638 |
| DrugCentral | 2462 |
| EPA CompTox | DTXSID5023588 |
| FDA SRS | 506T60A25R |
| Human Metabolome Database | HMDB0000247 |
| KEGG | C00794 |
| PDB | SOR |
| PharmGKB | PA451455 |
| PubChem | 5780 |
| SureChEMBL | SCHEMBL763 |
| ZINC | ZINC000018279893 |
CONTENTS