CHEMBL1766024
| SMILES | CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 |
| InChIKey | NQUGQFFOHDQSRF-DKZVUGQWSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 367.2 |
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 | 7.6 | 7.6 | 7.6 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 10.18 | 10.18 | 10.18 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pEC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 7.33 | 7.33 | 7.33 | ChEMBL |