7alpha-[(4'-methoxycinnamoyl)-aminomethyl]-6,14-endoethanotetrahydrothebaine
| SMILES | CN1CCC23C4C5(CCC2(C1CC6=C3C(=C(C=C6)OC)O4)CC5CNC(=O)C=CC7=CC=C(C=C7)OC)OC |
| InChIKey | ULMSSZRDKGYCJJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 530.3 |
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 |
| μ | OPRM | Human | Opioid | A | pKi | 7.89 | 7.89 | 7.89 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 6.49 | 6.49 | 6.49 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 6.96 | 6.96 | 6.96 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |