CHEMBL569215
| SMILES | Oc1cc2c(cc1CNCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1 |
| InChIKey | JFWLIVYAAPGDQO-PRSLZFPOSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 734.6 |
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 | 6.72 | 6.72 | 6.72 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |