CHEMBL4110312


SMILES COCCOCCOCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey XANWUMAEHRCRAP-ULPHGGBCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 23
Molecular weight (Da) 721.4

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 6.57 6.57 6.57 ChEMBL
κ OPRK Human Opioid A pKi 7.99 7.99 7.99 ChEMBL
μ OPRM Human Opioid A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL
κ OPRK Human Opioid A pEC50 7.37 7.37 7.37 ChEMBL
μ OPRM Human Opioid A pEC50 6.58 6.58 6.58 ChEMBL