CHEMBL4106939
SMILES | COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3c(cc1Cl)OCO3)C2 |
InChIKey | JJOPKJOJGNOCTM-ILFZRLQGSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 594.3 |
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 | Human | Opioid | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 4.73 | 4.73 | 4.73 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |