3-((3R,4R)-1-((S)-3-cyclohexyl-3-hydroxypropyl)-3,4-dimethylpiperidin-4-yl)phenol
| SMILES | CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(C3CCCCC3)O |
| InChIKey | LVVHEFJXPXAUDD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 345.3 |
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 |
| μ | OPRM | Human | Opioid | A | pKi | 9.82 | 10.0 | 10.37 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 8.32 | 8.52 | 8.92 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 8.33 | 8.72 | 9.49 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |