CHEMBL394573
| SMILES | NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 |
| InChIKey | UYFRBZFZZCVVGT-CZTZKLFOSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 353.2 |
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 | 6.8 | 6.8 | 6.8 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pEC50 | 7.06 | 7.06 | 7.06 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 7.2 | 7.2 | 7.2 | ChEMBL |