14beta-(2'-chlorocinnamoylamino)-7,8-dihydromorphinone
| SMILES | CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)NC(=O)C=CC6=CC=CC=C6Cl |
| InChIKey | LIARQQBYTIYDLN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 464.2 |
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 | 9.82 | 9.82 | 9.82 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 10.1 | 10.1 | 10.1 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 9.27 | 9.27 | 9.27 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |