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 |