Synonyms: | |
Status: | Approved (2011) |
Entry Type: | Small molecule |
Molecule Category: | Small molecule |
UNII: | SGW6W5758V |
InChI Key | AXMZZGKKZDJGAZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H23NO3S |
Molecular Weight | 369.49 |
AlogP | 3.56 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 54.45 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 26.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 115-115 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Osteoarthritis | 1 | D010003 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 395683-14-4 |
ChEMBL | CHEMBL504535 |
DrugBank | DB12354 |
DrugCentral | 5250 |
FDA SRS | SGW6W5758V |
PubChem | 11682175 |
SureChEMBL | SCHEMBL3034253 |
ZINC | ZINC000003938664 |