Naltrexone-6-beta-ol
| SMILES | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O |
| InChIKey | JLVNEHKORQFVQJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 343.2 |
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 | Human | Opioid | A | pKi | 9.68 | 9.7 | 9.72 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 7.25 | 7.27 | 7.28 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 9.25 | 9.29 | 9.32 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |