17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha-epoxy-6-beta-[(2'-pyridyl)acetamido]morphinan
| SMILES | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC=CC=N7 |
| InChIKey | NHRWXABMYGAAGY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 447.2 |
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 | 8.23 | 8.77 | 9.51 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 6.67 | 7.04 | 7.25 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 6.56 | 7.54 | 9.41 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |