| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1950) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 554Z48XN5E |
Structure
| InChI Key | PMRYVIKBURPHAH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6N2S |
| Molecular Weight | 114.17 |
| AlogP | 1.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 20.72 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 7.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Thyroid peroxidase inhibitor | DailyMed |
| Primary Target | |
|---|---|
| thyroid peroxidase |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 11800 | - | 45000 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 106 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 12 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Graves Ophthalmopathy | 3 | D049970 | ClinicalTrials |
| Dermatomyositis | 2 | D003882 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 60-56-0 |
| ChEBI | 50673 |
| ChEMBL | CHEMBL1515 |
| DrugBank | DB00763 |
| DrugCentral | 1745 |
| EPA CompTox | DTXSID4020820 |
| FDA SRS | 554Z48XN5E |
| Human Metabolome Database | HMDB0014901 |
| Guide to Pharmacology | 6649 |
| KEGG | C07190 |
| PDB | MMZ |
| PharmGKB | PA450422 |
| PubChem | 1349907 |
| SureChEMBL | SCHEMBL41647 |
| ZINC | ZINC000001187543 |
CONTENTS