CHEMBL3309514
| SMILES | O=C1[C@@H](CCO)CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1 |
| InChIKey | WWJMVAVKLZNBNB-FAMAGXMUSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 528.3 |
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 | Human | Opioid | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 8.56 | 8.56 | 8.56 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.81 | 8.81 | 8.81 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |