Trade Names: | |
Synonyms: | |
Status: | Approved (2016) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | ZMZ79891ZH |
InChI Key | RBTBFTRPCNLSDE-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H24ClN3O3S |
Molecular Weight | 373.91 |
AlogP | 2.5 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 19.14 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 20.0 |
Action | Mechanism of Action | Reference |
---|---|---|
None | Reducing agent | FDA |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 4370 | - | - | 24 | |
Enzyme
Transferase
|
- | 6100 | - | - | - | |
Membrane receptor
|
- | 550 | - | - | 5 | |
Other cytosolic protein
|
- | 2200 | - | - | - | |
Unclassified protein
|
- | 3300 | - | - | 54-67 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Bipolar Disorder | 3 | D001714 | ClinicalTrials |
Dysuria | 3 | D053159 | ClinicalTrials |
Shock, Septic | 3 | D012772 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
Stress Disorders, Post-Traumatic | 2 | D013313 | ClinicalTrials |
Alzheimer Disease | 2 | D000544 | ClinicalTrials |
Wounds and Injuries | 2 | D014947 | ClinicalTrials |
Malaria, Falciparum | 2 | D016778 | ClinicalTrials |
Tooth Diseases | 2 | D014076 | ClinicalTrials |
Malaria | 2 | D008288 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
Glucosephosphate Dehydrogenase Deficiency | 1 | D005955 | ClinicalTrials |
Abscess | 1 | D000038 | ClinicalTrials |
Sepsis | 1 | D018805 | ClinicalTrials |
Jaundice | 1 | D007565 | ClinicalTrials |
Methemoglobinemia | 1 | D008708 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 61-73-4 |
ChEBI | 43830 |
ChEMBL | CHEMBL191083 |
DrugBank | DB08167 |
DrugCentral | 1763 |
EPA CompTox | DTXSID3047009 |
FDA SRS | ZMZ79891ZH |
PDB | MBT |
PubChem | 104827 |
SureChEMBL | SCHEMBL109755 |
ZINC | ZINC000012414057 |
CAS NUMBER | 61-73-4 |
ChEMBL | CHEMBL550495 |
EPA CompTox | DTXSID0025600 |
FDA SRS | T42P99266K |
PubChem | 104827 |
SureChEMBL | SCHEMBL1207311 |