CHEMBL4116456
SMILES | O=[N+]([O-])c1ccc(CCN2CC[C@@]3(c4cccc(O)c4)CCC[C@@H]2[C@H]3O)cc1 |
InChIKey | JSVNJLJXMLXRFV-YPAWHYETSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 382.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Rat | Opioid | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 10.14 | 10.14 | 10.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pEC50 | 9.13 | 9.13 | 9.13 | ChEMBL |