CHEMBL3264746
SMILES | O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CCc3ccccc3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1 |
InChIKey | BOWOPEVIHUYMAZ-KRGIVBCISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 550.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 8.59 | 8.59 | 8.59 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 7.69 | 7.87 | 8.04 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.19 | 7.42 | 8.64 | ChEMBL |