| Synonyms: | |
| Status: | Approved (1950) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02AA05 |
| UNII: | CD35PMG570 |
Structure
| InChI Key | BRUQQQPBMZOVGD-XFKAJCMBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C18H21NO4 | |
| Molecular Weight | 315.37 | |
| AlogP | 1.05 | |
| Hydrogen Bond Acceptor | 5.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 1.0 | |
| Polar Surface Area | 59.0 | |
| Molecular species | NEUTRAL | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 23.0 |
Pharmacology
| Action | Mechanism of Action | Reference | |
|---|---|---|---|
| AGONIST | Mu opioid receptor agonist | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 76200 | - | - | 80 | ||
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
17-500 | - | - | 12-12 | 47 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
|---|---|---|---|---|---|
| Pain | 4 | D010146 | ClinicalTrials | ||
| Substance-Related Disorders | 4 | D019966 | ClinicalTrials | ||
| Parkinson Disease | 3 | D010300 | ClinicalTrials | ||
| Back Pain | 3 | D001416 | ClinicalTrials | ||
| Neck Pain | 3 | D019547 | ClinicalTrials | ||
| Low Back Pain | 3 | D017116 | ClinicalTrials | ||
| Diabetic Neuropathies | 3 | D003929 | ClinicalTrials | ||
| Osteoarthritis, Hip | 3 | D015207 | ClinicalTrials | ||
| Genital Neoplasms, Female | 3 | D005833 | ClinicalTrials | ||
| Hypospadias | 3 | D007021 | ClinicalTrials | ||
| Neoplasms | 3 | D009369 | ClinicalTrials | ||
| Osteoarthritis | 3 | D010003 | ClinicalTrials | ||
| Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials | ||
| Pruritus | 3 | D011537 | ClinicalTrials | ||
| Restless Legs Syndrome | 3 | D012148 | ClinicalTrials | ||
| Joint Diseases | 3 | D007592 | ClinicalTrials | ||
| Kidney Calculi | 3 | D007669 | ClinicalTrials | ||
| Opioid-Related Disorders | 2 | D009293 | ClinicalTrials | ||
| Opioid-Related Disorders | 2 | D009293 | ClinicalTrials | ||
| Neuralgia | 2 | D009437 | ClinicalTrials | ||
| Sinusitis | 2 | D012852 | ClinicalTrials | ||
| Nutrition Disorders | 2 | D009748 | ClinicalTrials | ||
| Spinal Cord Injuries | 2 | D013119 | ClinicalTrials | ||
| Toothache | 2 | D014098 | ClinicalTrials | ||
| Pre-Eclampsia | 2 | D011225 | ClinicalTrials | ||
| Intervertebral Disc Degeneration | 1 | D055959 | ClinicalTrials | ||
| Colorectal Neoplasms | 1 | D015179 | ClinicalTrials | ||
| Respiratory Insufficiency | 1 | D012131 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 7852 |
| ChEMBL | CHEMBL656 |
| DrugBank | DB00497 |
| DrugCentral | 2029 |
| EPA CompTox | DTXSID5023407 |
| FDA SRS | CD35PMG570 |
| Human Metabolome Database | HMDB0014640 |
| Guide to Pharmacology | 7093 |
| KEGG | C08018 |
| PharmGKB | PA450741 |
| SureChEMBL | SCHEMBL2737 |
| ZINC | ZINC000000403533 |
CONTENTS