17-(Cyclopropylmethyl)Morphinan-3-Yl(5alpha)-17-(Cyclopropylmethyl)-14-Hydroxy-6-Oxo-4,5-Epoxymorphiana-3-Yl Sebacoylate
Chemical Properties
| SMILES | C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OC(=O)CCCCCCCCC(=O)OC5=C6C7=C(CC8C9(C7(CCN8CC1CC1)C(O6)C(=O)CC9)O)C=C5)CC1CCC1 |
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 15 |
| Molecular weight | 818.5 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | VOTCBKOYCAMWBJ-UHFFFAOYSA-N |
Database Connections
| External Links |
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Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Human | Opioid | A | pKi | 8.54 | 8.54 | 8.54 | PDSP KiDatabase |
| κ | OPRK | Human | Opioid | A | pKi | 8.92 | 8.92 | 8.92 | PDSP KiDatabase |
| δ | OPRD | Human | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | PDSP KiDatabase |