Trade Names: | |
Synonyms: | |
Status: | Approved (1947) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 229809935B |
Parent Compound: | METHADONE |
InChI Key | FJQXCDYVZAHXNS-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H28ClNO |
Molecular Weight | 345.91 |
AlogP | 4.29 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 20.31 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 23.0 |
Action | Mechanism of Action | Reference |
---|---|---|
AGONIST | Mu opioid receptor agonist | DailyMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
- | 51 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
HIV Infections | 1 | D015658 | ClinicalTrials |
Intervertebral Disc Degeneration | 1 | D055959 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 50140 |
ChEMBL | CHEMBL1200825 |
EPA CompTox | DTXSID2020501 |
FDA SRS | 229809935B |
Guide to Pharmacology | 5458 |
KEGG | C07163 |
PubChem | 14184 |
SureChEMBL | SCHEMBL24293 |
ZINC | ZINC01530707 |