| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1979) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D10AX05 |
| UNII: | 8W5C518302 |
Structure
| InChI Key | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| 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 |
Indications
| 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 |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| 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 |
CONTENTS