| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5CKR8JG9OW |
Structure
| InChI Key | UJCACMLMPLLRGW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17NaO6S |
| Molecular Weight | 396.4 |
| AlogP | 3.49 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 101.65 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 3900-28790 | 15 | |
|
Unclassified protein
|
- | - | - | - | 78-98 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1621346 |
| FDA SRS | 5CKR8JG9OW |
| PDB | J0V |
| SureChEMBL | SCHEMBL14417738 |
| ZINC | ZINC000006069214 |
| ChEMBL | CHEMBL1473252 |
| EPA CompTox | DTXSID00219953 |
| FDA SRS | IVJ88KQ4XN |
CONTENTS