CHEMBL437784
SMILES | COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC |
InChIKey | IHVHGNZAYFNZSU-XMMPIXPASA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 544.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 9.41 | 9.41 | 9.41 | ChEMBL |