CHEMBL5275873
SMILES | Cc1ccc(CC(=O)N2CCC(O)(c3cccc(O)c3)C(CN(C)C)C2)cc1 |
InChIKey | JPGJTWGGJSUXMK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 382.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.32 | 8.32 | 8.32 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.25 | 8.25 | 8.25 | ChEMBL |