| Synonyms: | |
| Status: | Approved (1983) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M03AC04 |
| UNII: | 2GQ1IRY63P |
Structure
| InChI Key | YXSLJKQTIDHPOT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C53H72N2O12+2 |
| Molecular Weight | 929.16 |
| AlogP | 8.07 |
| Hydrogen Bond Acceptor | 12.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 24.0 |
| Polar Surface Area | 126.44 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 67.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Calcium-activated potassium channel
|
- | - | 6400 | 5900 | - |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Pain, Postoperative | Phase 3 | ClinicalTrials |
| Pain, Postoperative; Postoperative Nausea and Vomiting; Vomiting | Phase 4 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64228-79-1 |
| ChEBI | 2914 |
| ChEMBL | CHEMBL1360 |
| DrugCentral | 259 |
| EPA CompTox | DTXSID9043726 |
| FDA SRS | 2GQ1IRY63P |
| Human Metabolome Database | HMDB0014870 |
| Guide to Pharmacology | 9537 |
| KEGG | C07548 |
| PharmGKB | PA164776840 |
| SureChEMBL | SCHEMBL7773510 |
CONTENTS