(1S,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4-carboxamide
| SMILES | C1CCC2(C3CC4=C(C2(C1)CCN3CC5CC5)C(=C(C=C4)C(=O)N)O)O |
| InChIKey | XMMYBZHHAZNWDZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 356.2 |
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 | 8.38 | 8.38 | 8.38 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 9.8 | 9.8 | 9.8 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 9.54 | 9.54 | 9.54 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |