CHEMBL3954154
SMILES | COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5 |
InChIKey | MXSQTNCHUNVXKA-PVBHTIBPSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 503.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.56 | 7.56 | 7.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |