CHEMBL3040028
| SMILES | O=C(NCc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 |
| InChIKey | KQCZRKVLDBJORC-QAJOSVNBSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 487.2 |
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 |
| μ | OPRM | Mouse | Opioid | A | pKi | 9.62 | 9.62 | 9.62 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 9.09 | 9.09 | 9.09 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 9.64 | 9.64 | 9.64 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |