CHEMBL2365532
SMILES | CCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1 |
InChIKey | SAOYHLZQJFKNNK-IFVYDKLZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 440.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.2 | 9.2 | 9.2 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.42 | 8.42 | 8.42 | ChEMBL |