CHEMBL4076673
| SMILES | COCCCN1CCC23c4cc(O)ccc4CC1C21CCC2C3[C@@H](CN2C(=O)c2ccccc2)O1 |
| InChIKey | JQLFZIGRGRAYPG-BTNQZZBKSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 474.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 9.43 | 9.43 | 9.43 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 7.69 | 7.69 | 7.69 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Human | Opioid | A | pEC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pEC50 | 8.85 | 8.85 | 8.85 | ChEMBL |