CHEMBL386531
| SMILES | CN(C)[C@@H](Cc1ccc(O)cc1)CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1 |
| InChIKey | MJDQOGYOQPSRQW-UIOOFZCWSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 447.3 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Rat | Opioid | A | pIC50 | 7.42 | 7.42 | 7.42 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.08 | 5.08 | 5.08 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.63 | 5.63 | 5.63 | ChEMBL |