Trade Names: | |
Synonyms: | |
Status: | Approved (1951) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | M04AB01 |
UNII: | PO572Z7917 |
InChI Key | DBABZHXKTCFAPX-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C13H19NO4S |
Molecular Weight | 285.36 |
AlogP | 2.2 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 74.68 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 19.0 |
Primary Target | |
---|---|
Organic anion transporter 1 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Lyase
|
- | - | - | 1245-1245 | - | |
Enzyme
Transferase
|
- | - | - | 96000 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 22-89 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 15000-86390 | - | 6310-6400 | 30-36 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Urinary Tract Infections | 3 | D014552 | ClinicalTrials |
Obesity | 3 | D009765 | ClinicalTrials |
Infections | 3 | D007239 | ClinicalTrials |
Heart Failure | 2 | D006333 | ClinicalTrials |
Cellulitis | 2 | D002481 | ClinicalTrials |
Heart Failure, Systolic | 2 | D054143 | ClinicalTrials |
Influenza in Birds | 1 | D005585 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
Alcoholism | 1 | D000437 | ClinicalTrials |
Brain Injuries | 1 | D001930 | ClinicalTrials |
Chondrocalcinosis | 0 | D002805 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 57-66-9 |
ChEBI | 8426 |
ChEMBL | CHEMBL897 |
DrugBank | DB01032 |
DrugCentral | 2268 |
EPA CompTox | DTXSID9021188 |
FDA SRS | PO572Z7917 |
Human Metabolome Database | HMDB0015166 |
Guide to Pharmacology | 4357 |
KEGG | C07372 |
PharmGKB | PA451106 |
PubChem | 4911 |
SureChEMBL | SCHEMBL3663 |
ZINC | ZINC000000001982 |