CHEMBL4647696


SMILES Cc1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1
InChIKey XOKFAPUHFHWDFP-QJMCPCMJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 584.3

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 7.46 7.46 7.46 ChEMBL
κ OPRK Human Opioid A pKi 6.99 6.99 6.99 ChEMBL
μ OPRM Human Opioid A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.44 8.44 8.44 ChEMBL
μ OPRM Human Opioid A pEC50 8.64 8.64 8.64 ChEMBL