CHEMBL2437063
SMILES | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccccc2)C=C[C@H]3[C@H]1C5 |
InChIKey | HBGUKHSNIWDVFP-XUZRCCIISA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 414.2 |
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 |
κ | OPRK | Mouse | Opioid | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 10.0 | 10.0 | 10.0 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pEC50 | 7.44 | 7.44 | 7.44 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pEC50 | 8.86 | 8.86 | 8.86 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pEC50 | 8.04 | 8.04 | 8.04 | ChEMBL |