| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N01BB10 |
| UNII: | A5H73K9U3W |
Structure
| InChI Key | LEBVLXFERQHONN-INIZCTEOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H28N2O |
| Molecular Weight | 288.44 |
| AlogP | 3.9 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 32.34 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 20893 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pregnancy | 3 | D011247 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Back Pain | 3 | D001416 | ClinicalTrials |
| Postoperative Complications | 2 | D011183 | ClinicalTrials |
| Cleft Palate | 2 | D002972 | ClinicalTrials |
| Abdominal Pain | 2 | D015746 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27262-47-1 |
| ChEBI | 6149 |
| ChEMBL | CHEMBL1201193 |
| DrugBank | DB01002 |
| DrugCentral | 4 |
| EPA CompTox | DTXSID8048496 |
| FDA SRS | A5H73K9U3W |
| Human Metabolome Database | HMDB0015137 |
| Guide to Pharmacology | 7211 |
| KEGG | C07887 |
| PharmGKB | PA164754741 |
| PubChem | 92253 |
| SureChEMBL | SCHEMBL34537 |
| ZINC | ZINC000001530812 |
CONTENTS