CHEMBL219495
| SMILES | C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |
| InChIKey | MNIJXUFCXYXKGB-BPUDTRNYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 364.3 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.95 | 6.96 | 6.96 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pIC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 7.68 | 8.19 | 8.7 | ChEMBL |