17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[(4'-iodo)benzamido]morphinan-oxalate
| SMILES | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC=C(C=C7)I.C(=O)(C(=O)O)O |
| InChIKey | OZVXEQBRWQTEAI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 662.1 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 8.0 | 8.43 | 8.85 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 5.0 | 7.21 | 9.43 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 5.0 | 7.04 | 9.09 | 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 |