CHEMBL4114011


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey JIKNKSSGOZQLQU-NPBSHTHCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 519.3

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 4.77 4.77 4.77 ChEMBL
κ OPRK Human Opioid A pKi 7.19 7.19 7.19 ChEMBL
μ OPRM Human Opioid A pKi 6.07 6.07 6.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.29 6.29 6.29 ChEMBL
μ OPRM Human Opioid A pEC50 5.85 5.85 5.85 ChEMBL