Dihydroheroin
| SMILES | CC(=O)OC1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C |
| InChIKey | NCXVKLDKUADJPV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 371.2 |
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 |
| μ | OPRM | Bovine | Opioid | A | pKi | 7.95 | 7.95 | 7.95 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 5.55 | 5.55 | 5.55 | PDSP Ki database |
| δ | F1N083 | Bovine | Opioid | A | pKi | 5.61 | 5.61 | 5.61 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |