Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | M01AC02 |
UNII: | Z1R9N0A399 |
InChI Key | LZNWYQJJBLGYLT-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C13H11N3O4S2 |
Molecular Weight | 337.38 |
AlogP | 1.64 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 99.6 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 22.0 |
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
|
- | - | - | - | 78 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pain | 2 | D010146 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 59804-37-4 |
ChEBI | 32192 |
ChEMBL | CHEMBL302795 |
DrugBank | DB00469 |
DrugCentral | 2595 |
EPA CompTox | DTXSID8045486 |
FDA SRS | Z1R9N0A399 |
PubChem | 54677971 |
SureChEMBL | SCHEMBL25343 |
ZINC | ZINC000100006429 |