| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2009) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M02AB01 |
| UNII: | S07O44R1ZM |
Structure
| InChI Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.42 |
| AlogP | 3.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 58.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Primary Target | |
|---|---|
| TRPV1 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | -7-11 | |
|
Enzyme
Ligase
|
- | - | - | 42000 | - | |
|
Enzyme
Oxidoreductase
|
- | 3800 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 29000 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
3-30200 | 8-8 | - | 1700-2000 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteoarthritis | 4 | D010003 | ClinicalTrials |
| Neuralgia | 4 | D009437 | ClinicalTrials |
| Neuralgia | 4 | D009437 | ClinicalTrials |
| Angina, Stable | 3 | D060050 | ClinicalTrials |
| Head and Neck Neoplasms | 3 | D006258 | ClinicalTrials |
| Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
| Peripheral Nervous System Diseases | 3 | D010523 | ClinicalTrials |
| Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Herpes Zoster | 3 | D006562 | ClinicalTrials |
| Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
| Vomiting | 2 | D014839 | ClinicalTrials |
| Neuralgia, Postherpetic | 2 | D051474 | ClinicalTrials |
| Hypertension, Pulmonary | 2 | D006976 | ClinicalTrials |
| Nausea | 2 | D009325 | ClinicalTrials |
| Myofascial Pain Syndromes | 2 | D009209 | ClinicalTrials |
| Neuroma | 2 | D009463 | ClinicalTrials |
| Facial Pain | 2 | D005157 | ClinicalTrials |
| Tennis Elbow | 2 | D013716 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| Pruritus | 1 | D011537 | ClinicalTrials |
| Stroke | 1 | D020521 | ClinicalTrials |
| Cough | 0 | D003371 | ClinicalTrials |
| Migraine Disorders | 0 | D008881 | ClinicalTrials |
| Amyotrophic Lateral Sclerosis | 0 | D000690 | ClinicalTrials |
| Brain Injuries | 0 | D001930 | ClinicalTrials |
Related Entries
MCS
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 404-86-4 |
| ChEBI | 3374 |
| ChEMBL | CHEMBL294199 |
| DrugBank | DB06774 |
| DrugCentral | 3064 |
| EPA CompTox | DTXSID9020241 |
| FDA SRS | S07O44R1ZM |
| Human Metabolome Database | HMDB0002227 |
| Guide to Pharmacology | 2486 |
| KEGG | C06866 |
| PDB | 4DY |
| PubChem | 1548943 |
| SureChEMBL | SCHEMBL8085 |
| ZINC | ZINC000001530575 |
CONTENTS