21-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydrothebaine
| SMILES | CN1CCC23C4C5(CC(C2(C1CC6=C3C(=C(C=C6)OC)O4)C=C5)C7=CC(=CC=C7)[N+](=O)[O-])OC |
| InChIKey | VWQZGDTVUHHSDR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 460.2 |
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 | Human | Opioid | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |