CHEMBL3954154


SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5
InChIKey MXSQTNCHUNVXKA-PVBHTIBPSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 503.3

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 6.79 6.79 6.79 ChEMBL
κ OPRK Human Opioid A pKi 6.66 6.66 6.66 ChEMBL
μ OPRM Human Opioid A pKi 7.56 7.56 7.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.57 7.57 7.57 ChEMBL
μ OPRM Human Opioid A pIC50 6.4 6.4 6.4 ChEMBL