CHEMBL3264748
SMILES | O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1CCc1ccccc1 |
InChIKey | ASWPFFLMSHOYIM-NLIGWKNISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 514.2 |
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 | 8.76 | 8.76 | 8.76 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 8.94 | 8.94 | 8.94 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 9.21 | 9.3 | 9.39 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.41 | 8.52 | 8.62 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.28 | 8.48 | 8.68 | ChEMBL |