CHEMBL4453504
SMILES | CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC |
InChIKey | ZGFZEUQTWZGDLW-GHINOQSISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 384.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 9.34 | 9.34 | 9.34 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pEC50 | 8.85 | 8.85 | 8.85 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.71 | 6.71 | 6.71 | ChEMBL |