| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1947) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | H03BA02 |
| UNII: | 721M9407IY |
Structure
| InChI Key | KNAHARQHSZJURB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2OS |
| Molecular Weight | 170.24 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 48.65 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Primary Target | |
|---|---|
| thyroid peroxidase |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 2810-5700 | - | - | 29 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 80 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Thyrotoxicosis | 3 | D013971 | ClinicalTrials |
| Graves Ophthalmopathy | 3 | D049970 | ClinicalTrials |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-52-5 |
| ChEBI | 8502 |
| ChEMBL | CHEMBL1518 |
| DrugBank | DB00550 |
| DrugCentral | 2308 |
| EPA CompTox | DTXSID5021209 |
| FDA SRS | 721M9407IY |
| Human Metabolome Database | HMDB0014690 |
| Guide to Pharmacology | 6650 |
| KEGG | C07569 |
| PDB | 3CJ |
| PharmGKB | PA451156 |
| PubChem | 657298 |
| SureChEMBL | SCHEMBL41239 |
| ZINC | ZINC000004640636 |
CONTENTS