CHEMBL2048774
| SMILES | CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc13 |
| InChIKey | PIWYCCOPQBGXEH-QPTUXGOLSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 362.2 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 9.38 | 9.38 | 9.38 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 8.19 | 8.19 | 8.19 | ChEMBL |