CHEMBL292521
| SMILES | CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC |
| InChIKey | IIRZCWUQUBSIPF-XZNUVMSOSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 384.2 |
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 | Mouse | Opioid | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 4.51 | 4.51 | 4.51 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Mouse | Opioid | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pEC50 | 6.37 | 6.37 | 6.37 | ChEMBL |