CHEMBL4644052
SMILES | COc1cccc(C2CCCN2Cc2ccc(Oc3ccc(C(=O)NO)cc3F)cc2)c1 |
InChIKey | PNXYJJOCUIMQBK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 436.2 |
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 | 5.67 | 5.67 | 5.67 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |