Trade Names: | |
Synonyms: | |
Status: | Approved (1966) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A10BB05 |
UNII: | 9LT1BRO48Q |
InChI Key | OUDSBRTVNLOZBN-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C14H21N3O3S |
Molecular Weight | 311.41 |
AlogP | 1.77 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 78.51 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 21.0 |
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
|
- | - | - | - | 110 |
Resources | Reference |
---|---|
CAS NUMBER | 1156-19-0 |
ChEBI | 9613 |
ChEMBL | CHEMBL817 |
DrugBank | DB00839 |
DrugCentral | 2694 |
EPA CompTox | DTXSID3021358 |
FDA SRS | 9LT1BRO48Q |
Human Metabolome Database | HMDB0014977 |
Guide to Pharmacology | 6847 |
PharmGKB | PA164774902 |
PubChem | 5503 |
SureChEMBL | SCHEMBL34417 |
ZINC | ZINC000000057512 |