CHEMBL1774948


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

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 16
Molecular weight (Da) 834.5

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 7.41 7.41 7.41 ChEMBL
κ OPRK Human Opioid A pKi 9.85 9.85 9.85 ChEMBL
μ OPRM Human Opioid A pKi 9.26 9.26 9.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL
κ OPRK Human Opioid A pIC50 8.11 8.11 8.11 ChEMBL
μ OPRM Human Opioid A pEC50 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pIC50 7.72 7.72 7.72 ChEMBL