CHEMBL1774950


SMILES C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(O)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
InChIKey ZBRHLKCYFJFMJO-XYIWGVFMSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 820.5

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
δ OPRD Human Opioid A pKi 7.46 7.46 7.46 ChEMBL
κ OPRK Human Opioid A pKi 9.55 9.55 9.55 ChEMBL
μ OPRM Human Opioid A pKi 9.09 9.09 9.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.92 7.92 7.92 ChEMBL
κ OPRK Human Opioid A pIC50 7.31 7.31 7.31 ChEMBL
μ OPRM Human Opioid A pEC50 8.7 8.7 8.7 ChEMBL
μ OPRM Human Opioid A pIC50 7.47 7.47 7.47 ChEMBL