CHEMBL2204730
| SMILES | CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1 |
| InChIKey | VDNRQMJJQGAIOG-VAUNDWNJSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 466.3 |
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 |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |