| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 9Z74BD3QPP |
Structure
| InChI Key | KYHVTMFADJNSGS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H11F3N2O2S |
| Molecular Weight | 376.36 |
| AlogP | 4.34 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 55.12 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 5-27000 | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 1.27 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetic Neuropathies | 2 | D003929 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL363387 |
| DrugBank | DB07063 |
| EPA CompTox | DTXSID40179264 |
| FDA SRS | 9Z74BD3QPP |
| Guide to Pharmacology | 7411 |
| PDB | 3NA |
| PubChem | 157839 |
| SureChEMBL | SCHEMBL419032 |
| ZINC | ZINC000000538652 |
CONTENTS