CHEMBL4636598


SMILES COc1cc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)ccn1
InChIKey ZYIJXATXWSCOLH-GBYFWFCKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 601.3

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 8.46 8.46 8.46 ChEMBL
κ OPRK Human Opioid A pKi 8.18 8.18 8.18 ChEMBL
μ OPRM Human Opioid A pKi 7.97 7.97 7.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 9.15 9.15 9.15 ChEMBL
μ OPRM Human Opioid A pEC50 8.57 8.57 8.57 ChEMBL