CHEMBL4649485


SMILES CN(C)c1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5
InChIKey ZSEGEZNFBCYZHP-BPSUTHQGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 613.3

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 7.16 7.16 7.16 ChEMBL
κ OPRK Human Opioid A pKi 8.1 8.1 8.1 ChEMBL
μ OPRM Human Opioid A pKi 8.16 8.16 8.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.91 7.91 7.91 ChEMBL
μ OPRM Human Opioid A pEC50 6.63 6.63 6.63 ChEMBL