Trade Names: | |
Synonyms: | |
Status: | Approved (1963) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | R05CB01 |
UNII: | WYQ7N0BPYC |
InChI Key | PWKSKIMOESPYIA-BYPYZUCNSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C5H9NO3S |
Molecular Weight | 163.2 |
AlogP | -0.49 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 66.4 |
Molecular species | ACID |
Aromatic Rings | 0.0 |
Heavy Atoms | 10.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 82 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 16 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Wounds and Injuries | 4 | D014947 | ClinicalTrials |
Chemical and Drug Induced Liver Injury | 4 | D056486 | ClinicalTrials |
Anemia, Sickle Cell | 3 | D000755 | ClinicalTrials |
Infertility | 3 | D007246 | ClinicalTrials |
Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
Respiratory Tract Diseases | 3 | D012140 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Marijuana Abuse | 3 | D002189 | ClinicalTrials |
Sinusitis | 3 | D012852 | ClinicalTrials |
Infertility, Female | 3 | D007247 | ClinicalTrials |
Reperfusion Injury | 3 | D015427 | ClinicalTrials |
Pulmonary Fibrosis | 3 | D011658 | ClinicalTrials |
Schizophrenia | 3 | D012559 | ClinicalTrials |
Hepatitis, Alcoholic | 3 | D006519 | ClinicalTrials |
Graft vs Host Disease | 3 | D006086 | ClinicalTrials |
Liver Failure, Acute | 3 | D017114 | ClinicalTrials |
Bulimia Nervosa | 3 | D052018 | ClinicalTrials |
Coronary Disease | 3 | D003327 | ClinicalTrials |
Myocardial Infarction | 3 | D009203 | ClinicalTrials |
Acute Kidney Injury | 3 | D058186 | ClinicalTrials |
Diabetic Foot | 3 | D017719 | ClinicalTrials |
Myocardial Infarction | 3 | D009203 | ClinicalTrials |
Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
Mucositis | 3 | D052016 | ClinicalTrials |
Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
Idiopathic Pulmonary Fibrosis | 3 | D054990 | ClinicalTrials |
Asperger Syndrome | 2 | D020817 | ClinicalTrials |
Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
Muscular Diseases | 2 | D009135 | ClinicalTrials |
Alcohol Drinking | 2 | D000428 | ClinicalTrials |
Bronchitis, Chronic | 2 | D029481 | ClinicalTrials |
Ischemic Stroke | 2 | D000083242 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Parkinson Disease | 2 | D010300 | ClinicalTrials |
Thrombocytopenia | 2 | D013921 | ClinicalTrials |
Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
Adrenoleukodystrophy | 2 | D000326 | ClinicalTrials |
Kidney Diseases | 2 | D007674 | ClinicalTrials |
Gaucher Disease | 2 | D005776 | ClinicalTrials |
Retinitis Pigmentosa | 2 | D012174 | ClinicalTrials |
Premature Birth | 2 | D047928 | ClinicalTrials |
ST Elevation Myocardial Infarction | 2 | D000072657 | ClinicalTrials |
Bipolar Disorder | 2 | D001714 | ClinicalTrials |
Biliary Atresia | 2 | D001656 | ClinicalTrials |
Tuberculosis | 2 | D014376 | ClinicalTrials |
Arrhythmias, Cardiac | 2 | D001145 | ClinicalTrials |
Trichotillomania | 2 | D014256 | ClinicalTrials |
Transposition of Great Vessels | 2 | D014188 | ClinicalTrials |
Homocystinuria | 2 | D006712 | ClinicalTrials |
Stroke | 2 | D020521 | ClinicalTrials |
Polycystic Ovary Syndrome | 2 | D011085 | ClinicalTrials |
Brain Injuries | 2 | D001930 | ClinicalTrials |
Stress Disorders, Post-Traumatic | 2 | D013313 | ClinicalTrials |
Fuchs' Endothelial Dystrophy | 2 | D005642 | ClinicalTrials |
Pain | 2 | D010146 | ClinicalTrials |
Hearing Loss | 2 | D034381 | ClinicalTrials |
Neurofibromatosis 1 | 2 | D009456 | ClinicalTrials |
Hepatic Veno-Occlusive Disease | 2 | D006504 | ClinicalTrials |
Autistic Disorder | 2 | D001321 | ClinicalTrials |
De Lange Syndrome | 2 | D003635 | ClinicalTrials |
Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
Obsessive-Compulsive Disorder | 2 | D009771 | ClinicalTrials |
Lupus Erythematosus, Systemic | 2 | D008180 | ClinicalTrials |
Acute Lung Injury | 2 | D055371 | ClinicalTrials |
Tourette Syndrome | 2 | D005879 | ClinicalTrials |
Neuralgia | 2 | D009437 | ClinicalTrials |
Dry Eye Syndromes | 2 | D015352 | ClinicalTrials |
Mental Disorders | 2 | D001523 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Rhabdomyolysis | 2 | D012206 | ClinicalTrials |
Pyelonephritis | 2 | D011704 | ClinicalTrials |
Amphetamine-Related Disorders | 2 | D019969 | ClinicalTrials |
Purpura, Thrombocytopenic, Idiopathic | 2 | D016553 | ClinicalTrials |
Common Cold | 2 | D003139 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Scleroderma, Diffuse | 2 | D045743 | ClinicalTrials |
Bacteremia | 2 | D016470 | ClinicalTrials |
Child Development Disorders, Pervasive | 2 | D002659 | ClinicalTrials |
Fibromyalgia | 1 | D005356 | ClinicalTrials |
Cardiomyopathy, Hypertrophic | 1 | D002312 | ClinicalTrials |
Altitude Sickness | 1 | D000532 | ClinicalTrials |
Aging | 1 | D000375 | ClinicalTrials |
Gambling | 1 | D005715 | ClinicalTrials |
Hearing Loss, Noise-Induced | 1 | D006317 | ClinicalTrials |
Neuromuscular Diseases | 1 | D009468 | ClinicalTrials |
Niemann-Pick Disease, Type C | 1 | D052556 | ClinicalTrials |
Renal Insufficiency | 1 | D051437 | ClinicalTrials |
Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
Breast Neoplasms | 1 | D001943 | ClinicalTrials |
beta-Thalassemia | 1 | D017086 | ClinicalTrials |
Irritable Bowel Syndrome | 1 | D043183 | ClinicalTrials |
Respiratory Tract Infections | 1 | D012141 | ClinicalTrials |
Depressive Disorder | 0 | D003866 | ClinicalTrials |
Alzheimer Disease | 0 | D000544 | ClinicalTrials |
Purpura, Thrombotic Thrombocytopenic | 0 | D011697 | ClinicalTrials |
Depressive Disorder, Major | 0 | D003865 | ClinicalTrials |
Respiratory Distress Syndrome | 0 | D012128 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 0 | D003924 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 616-91-1 |
ChEBI | 28939 |
ChEMBL | CHEMBL600 |
DrugBank | DB06151 |
DrugCentral | 66 |
EPA CompTox | DTXSID5020021 |
FDA SRS | WYQ7N0BPYC |
Human Metabolome Database | HMDB0001890 |
Guide to Pharmacology | 10945 |
KEGG | C06809 |
PDB | SC2 |
PharmGKB | PA448033 |
PubChem | 12035 |
SureChEMBL | SCHEMBL5292 |
ZINC | ZINC000003589203 |