Chembl4595206
Chemical Properties
| SMILES | O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2ccsc12 |
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight | 502.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | ODTMIQLSFIYVKL-BCTJHDQDSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Mouse | Opioid | A | pKi | 8.58 | 8.58 | 8.58 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 9.51 | 9.51 | 9.51 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pEC50 | 8.21 | 8.21 | 8.21 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |