Trade Names: | |
Synonyms: | |
Status: | Approved (1950) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 554Z48XN5E |
InChI Key | PMRYVIKBURPHAH-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Graves Ophthalmopathy | 3 | D049970 | ClinicalTrials |
Dermatomyositis | 2 | D003882 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
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 |