CHEMBL3139109
SMILES | Oc1ccc2c(c1)[C@]13CCN(Cc4ccoc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 |
InChIKey | PLKCDUONDNGFRH-JCYYIGJDSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 438.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |