Naltrexone
SMILES | C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O |
InChIKey | DQCKKXVULJGBQN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 341.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pKi | 9.3 | 9.56 | 10.08 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 8.44 | 9.38 | 9.96 | PDSP Ki database |
δ | OPRD | Rat | Opioid | A | pKi | 8.1 | 8.1 | 8.1 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 9.29 | 9.29 | 9.29 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 6.93 | 7.53 | 7.97 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 8.28 | 9.08 | 10.38 | PDSP Ki database |
NOP | OPRX | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |