CHEMBL410526
| SMILES | COc1cccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 |
| InChIKey | MCVSUAXKBBAXPV-RDGDOILBSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 476.2 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 9.62 | 9.62 | 9.62 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKd | 9.78 | 9.78 | 9.78 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 9.92 | 9.92 | 9.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |