3-desoxy-3-carboxamidonaltrexone
| SMILES | C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)C(=O)N)O5)O |
| InChIKey | QAICPHMNUHNDMC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 368.2 |
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 | 9.15 | 9.15 | 9.15 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 6.26 | 6.26 | 6.26 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 7.96 | 8.7 | 9.44 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |