CHEMBL4636159


SMILES COc1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1
InChIKey PUMFEJRBPAXUSK-QJMCPCMJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 600.3

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 7.51 7.51 7.51 ChEMBL
κ OPRK Human Opioid A pKi 6.85 6.85 6.85 ChEMBL
μ OPRM Human Opioid A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.66 7.66 7.66 ChEMBL
κ OPRK Human Opioid A pEC50 8.7 8.7 8.7 ChEMBL
μ OPRM Human Opioid A pEC50 7.63 7.63 7.63 ChEMBL