Synonyms: | |
Status: | Approved (1971) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A06AH04 |
UNII: | 36B82AMQ7N |
InChI Key | UZHSEJADLWPNLE-GRGSLBFTSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H21NO4 |
Molecular Weight | 327.38 |
AlogP | 1.3 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 70.0 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 24.0 |
Primary Target | |
---|---|
δ receptor | |
κ receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CC chemokine receptor
|
- | - | 11-21 | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
7-10 | 62-153 | 0-5 | 0-354 | 50-100 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Opioid-Related Disorders | 3 | D009293 | ClinicalTrials |
Substance Withdrawal Syndrome | 3 | D013375 | ClinicalTrials |
Sezary Syndrome | 3 | D012751 | ClinicalTrials |
Mycosis Fungoides | 3 | D009182 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Osteoarthritis | 3 | D010003 | ClinicalTrials |
Parkinson Disease | 3 | D010300 | ClinicalTrials |
Restless Legs Syndrome | 3 | D012148 | ClinicalTrials |
Chronic Pain | 3 | D059350 | ClinicalTrials |
Low Back Pain | 3 | D017116 | ClinicalTrials |
Epilepsy | 3 | D004827 | ClinicalTrials |
Pain | 3 | D010146 | ClinicalTrials |
Substance-Related Disorders | 3 | D019966 | ClinicalTrials |
Heroin Dependence | 3 | D006556 | ClinicalTrials |
Opioid-Related Disorders | 3 | D009293 | ClinicalTrials |
Morphine Dependence | 3 | D009021 | ClinicalTrials |
Obesity | 2 | D009765 | ClinicalTrials |
Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
Irritable Bowel Syndrome | 2 | D043183 | ClinicalTrials |
Neuralgia | 2 | D009437 | ClinicalTrials |
Hypogonadism | 2 | D007006 | ClinicalTrials |
Diabetic Neuropathies | 2 | D003929 | ClinicalTrials |
Pruritus | 2 | D011537 | ClinicalTrials |
Feeding and Eating Disorders | 2 | D001068 | ClinicalTrials |
Hepatitis C | 1 | D006526 | ClinicalTrials |
Intestinal Obstruction | 1 | D007415 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 465-65-6 |
ChEBI | 7459 |
ChEMBL | CHEMBL80 |
DrugBank | DB01183 |
DrugCentral | 1878 |
EPA CompTox | DTXSID8023349 |
FDA SRS | 36B82AMQ7N |
Human Metabolome Database | HMDB0015314 |
Guide to Pharmacology | 1676 |
KEGG | C07252 |
PharmGKB | PA450586 |
PubChem | 5284596 |
SureChEMBL | SCHEMBL34284 |
ZINC | ZINC000000389747 |