CHEMBL2338715
SMILES | CC[C@@]12CCN(CC3CC3)[C@@H](C(=O)c3ccc(O)cc31)[C@H]2C |
InChIKey | SEJUQQOPVAUETF-LLSQANQASA-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 |
Physiological/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 | 9.41 | 9.41 | 9.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.66 | 8.66 | 8.66 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pEC50 | 8.36 | 8.36 | 8.36 | ChEMBL |