CHEMBL5276728
SMILES | CC[C@@H]1C[N+]2=C(C[C@@H]1/C(=C\OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |
InChIKey | LRKSTCBIGUUOED-DCHMLSIZSA-O |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 397.2 |
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 |
κ | OPRK | Mouse | Opioid | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pEC50 | 6.78 | 6.78 | 6.78 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pEC50 | 7.17 | 7.17 | 7.17 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |