1'-(p-methylcinnamoyl)-[7alpha,8alpha:3',4']-pyrrolidino-6,14-endoethenotetrahydrooripavine
| SMILES | CC1=CC=C(C=C1)C=CC(=O)N2CC3C(C2)C4(C=CC35C6CC7=C8C5(C4OC8=C(C=C7)O)CCN6C)OC |
| InChIKey | IQUJPSZZBAYWMS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 510.3 |
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 | 9.32 | 9.32 | 9.32 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 8.32 | 8.32 | 8.32 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |