CHEMBL3264440
| SMILES | C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |
| InChIKey | SCCAFBMPWRFHRT-GJECAEJISA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 438.3 |
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 |
| κ | OPRK | Guinea pig | Opioid | A | pKd | 6.76 | 6.76 | 6.76 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.76 | 7.18 | 7.6 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |