Trade Names: | |
Synonyms: | |
Status: | Approved (1958) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | A10BB02 |
UNII: | WTM2C3IL2X |
InChI Key | RKWGIWYCVPQPMF-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H13ClN2O3S |
Molecular Weight | 276.75 |
AlogP | 1.74 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 75.27 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 17.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | - | - | 0-0 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 102 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | 39500 | - |
Resources | Reference |
---|---|
CAS NUMBER | 94-20-2 |
ChEBI | 3650 |
ChEMBL | CHEMBL498 |
DrugBank | DB00672 |
DrugCentral | 622 |
EPA CompTox | DTXSID9020322 |
FDA SRS | WTM2C3IL2X |
Human Metabolome Database | HMDB0014810 |
Guide to Pharmacology | 6801 |
KEGG | D00271 |
PharmGKB | PA448966 |
PubChem | 2727 |
SureChEMBL | SCHEMBL23947 |
ZINC | ZINC000001530599 |