(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10-carboxamide
| SMILES | C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)C(=O)N)O5)O)O |
| InChIKey | FCWIXGWALZNKAB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 384.2 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 8.42 | 8.42 | 8.42 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 9.34 | 9.34 | 9.34 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |