CHEMBL3895484
| SMILES | NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(C[C@H]2CC[C@H](O)CC2)C(=O)[C@@H](O)CO)c1 |
| InChIKey | ONNSAFYJKDFEFT-DXUCWRADSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 473.3 |
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 | 7.0 | 7.0 | 7.0 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |