CHEMBL202200
SMILES | CCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC |
InChIKey | COMBRMJRXRQTHS-FBBABVLZSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 317.3 |
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 | 6.24 | 6.24 | 6.24 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |