| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | R05CB15 |
| UNII: | 76J0853EKA |
Structure
| InChI Key | QGFORSXNKQLDNO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11NO4S2 |
| Molecular Weight | 249.31 |
| AlogP | -0.05 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 83.47 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Anti-inflammatory, anti-oxidant |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 8.95-24.24 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -38.71-6.34 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
| Bronchitis, Chronic | 2 | D029481 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84611-23-4 |
| ChEBI | 135014 |
| ChEMBL | CHEMBL1697744 |
| DrugBank | DB05057 |
| DrugCentral | 1041 |
| EPA CompTox | DTXSID8048735 |
| FDA SRS | 76J0853EKA |
| PubChem | 65632 |
| SureChEMBL | SCHEMBL21721 |
CONTENTS