CHEMBL3139175
| SMILES | C[C@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 |
| InChIKey | VTPWDZUDVNYYBU-NZTPSJBJSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 416.2 |
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 | 6.4 | 6.4 | 6.4 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 9.56 | 9.56 | 9.56 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pEC50 | 8.79 | 8.79 | 8.79 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 7.77 | 7.77 | 7.77 | ChEMBL |