| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M03BX05 |
| UNII: | T1X8S697GT |
Structure
| InChI Key | LEQAKWQJCITZNK-MSQQGMGVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H33NO10S |
| Molecular Weight | 563.63 |
| AlogP | 0.76 |
| Hydrogen Bond Acceptor | 11.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 164.01 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 39.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | 1900-3400 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Low Back Pain | 3 | D017116 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 602-41-5 |
| ChEBI | 91529 |
| ChEMBL | CHEMBL1705373 |
| FDA SRS | T1X8S697GT |
| PubChem | 9915886 |
| SureChEMBL | SCHEMBL719194 |
CONTENTS