CHEMBL219599
| SMILES | Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1 |
| InChIKey | ZCUDFWDJTWPFDX-BPUDTRNYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| 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 | 7.05 | 7.05 | 7.05 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 9.01 | 9.01 | 9.01 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |