CHEMBL106189
SMILES | C[C@@]12Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C=CC2=O |
InChIKey | SOMLNFVGFKTNRL-JHMKZUJTSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 527.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Bovine | Opioid | A | pIC50 | 8.73 | 8.73 | 8.73 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 7.59 | 7.59 | 7.59 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.61 | 7.61 | 7.61 | ChEMBL |