ETHYLKETOCYCLAZOCINE
| SMILES | CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(O)cc31)[C@@H]2C |
| InChIKey | SEJUQQOPVAUETF-BKBNBNODSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 299.2 |
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 |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 7.14 | 9.05 | 9.77 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.89 | 8.21 | 8.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pIC50 | 7.33 | 7.33 | 7.33 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pEC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 8.26 | 8.26 | 8.26 | ChEMBL |