CHEMBL3264441
SMILES | CCOC(=O)C(CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |
InChIKey | HPYASOWAVYTFJW-XTNINKNLSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 496.3 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKd | 8.62 | 8.62 | 8.62 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.62 | 8.69 | 8.76 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |