| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | A5595LHJ2L |
Structure
| InChI Key | NEBUOXBYNAHKFV-NRFANRHFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H14F3NO5 |
| Molecular Weight | 429.35 |
| AlogP | 4.25 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.14 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 170 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteoarthritis, Knee | 2 | D020370 | ClinicalTrials |
| Neuralgia, Postherpetic | 2 | D051474 | ClinicalTrials |
| Erythromelalgia | 1 | D004916 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3707218 |
| DrugBank | DB11769 |
| FDA SRS | A5595LHJ2L |
| PubChem | 49836093 |
| SureChEMBL | SCHEMBL1612849 |
| ZINC | ZINC000113473392 |
CONTENTS