CHEMBL462313
SMILES | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O |
InChIKey | ZSTCZWJCLIRCOJ-DGCLKSJQSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 261.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 5.16 | 5.16 | 5.16 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 4.51 | 4.51 | 4.51 | ChEMBL |