CHEMBL5419235
| SMILES | CCOC(=O)NCc1cc2ccccc2n1C1CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1 |
| InChIKey | WMQOWAAURKEWQE-GRGXKFILSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 425.3 |
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 |
| NOP | OPRX | Human | Opioid | A | pKi | 8.63 | 8.63 | 8.63 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 7.29 | 7.29 | 7.29 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NOP | OPRX | Human | Opioid | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pEC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 7.14 | 7.14 | 7.14 | ChEMBL |