Trade Names: | |
Synonyms: | |
Status: | Approved (1979) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | D10AX05 |
UNII: | 8W5C518302 |
InChI Key | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H12N2O2S |
Molecular Weight | 248.31 |
AlogP | 1.68 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 86.18 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 17.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Kinase
|
- | 12410 | - | - | - | |
Enzyme
Oxidoreductase
|
- | 1500 | - | - | 11 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 183 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 78 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Acne Vulgaris | 4 | D000152 | ClinicalTrials |
Leprosy | 4 | D007918 | ClinicalTrials |
Malaria, Vivax | 3 | D016780 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Malaria | 3 | D008288 | ClinicalTrials |
Malaria, Falciparum | 3 | D016778 | ClinicalTrials |
HIV Infections | 3 | D015658 | ClinicalTrials |
Pneumonia, Pneumocystis | 3 | D011020 | ClinicalTrials |
Fever | 3 | D005334 | ClinicalTrials |
Pulmonary Fibrosis | 2 | D011658 | ClinicalTrials |
Pemphigoid, Benign Mucous Membrane | 2 | D010390 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
Stroke | 2 | D020521 | ClinicalTrials |
Rosacea | 2 | D012393 | ClinicalTrials |
Sarcoidosis | 2 | D012507 | ClinicalTrials |
Pemphigus | 2 | D010392 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 80-08-0 |
ChEBI | 4325 |
ChEMBL | CHEMBL1043 |
DrugBank | DB00250 |
DrugCentral | 782 |
EPA CompTox | DTXSID4020371 |
FDA SRS | 8W5C518302 |
Human Metabolome Database | HMDB0014395 |
Guide to Pharmacology | 10934 |
KEGG | C07666 |
PharmGKB | PA449211 |
PubChem | 2955 |
SureChEMBL | SCHEMBL21428 |
ZINC | ZINC000000006310 |