CHEMBL422551
SMILES | CC[C@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(O)cc31)[C@@H]2C |
InChIKey | SEJUQQOPVAUETF-OYYNGEPBSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 299.2 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 9.68 | 9.68 | 9.68 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.99 | 8.99 | 8.99 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |