(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4-carboxamide
| SMILES | C1CC(C1)CN2CCC34CC(CCC3(C2CC5=C4C(=C(C=C5)C(=O)N)O)O)O |
| InChIKey | NWIALXFYKPFWTR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 386.2 |
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 | 7.11 | 7.76 | 8.41 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 8.05 | 8.76 | 9.47 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 9.28 | 9.71 | 10.14 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |