CHEMBL285250
SMILES | CN1CCC2(c3cccc(O)c3)CCCC1C2 |
InChIKey | ZQJGRSYDDMBMPJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 231.2 |
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 |
μ | OPRM | Bovine | Opioid | A | pKi | 7.2 | 7.82 | 8.47 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.7 | 6.86 | 7.01 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.8 | 6.96 | 7.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 6.04 | 6.06 | 6.09 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.67 | 7.67 | 7.68 | ChEMBL |