CHEMBL3040037
| SMILES | CN1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 |
| InChIKey | HVSUCWMGIQALNH-WITXOBIESA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 515.3 |
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 |
| δ | OPRD | Mouse | Opioid | A | pKi | 9.8 | 9.8 | 9.8 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 9.74 | 9.74 | 9.74 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |