6-desoxonaltrexone
SMILES | C1CC2C34CCN(C(C3(C1)O)CC5=C4C(=C(C=C5)O)O2)CC6CC6 |
InChIKey | XBPQMXFKKJADMC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 327.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.1 | 7.1 | 7.1 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 9.62 | 9.62 | 9.62 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 9.62 | 9.62 | 9.62 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |