CHEMBL2110315
| SMILES | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@H]2C(C)(C)C(C)(C)O4)C1C5 |
| InChIKey | FTOZVQKYOSPMCR-KHYIZFIASA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 395.2 |
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 | 8.36 | 8.36 | 8.36 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 8.21 | 8.21 | 8.21 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pEC50 | 7.68 | 7.68 | 7.68 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 8.72 | 8.72 | 8.72 | ChEMBL |