CHEMBL4082129
| SMILES | NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CCCCN2C(=O)c3ccccc3C2=O)c1 |
| InChIKey | ZSAABBVZFWEOFF-NHCUHLMSSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 431.2 |
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 |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 6.7 | 6.9 | 7.1 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 7.5 | 8.15 | 8.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |