CHEMBL4116350
SMILES | Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCC2)cc1 |
InChIKey | ADIDNLAOSHEBBQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 325.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.79 | 7.79 | 7.79 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.65 | 7.65 | 7.65 | ChEMBL |