CHEMBL4647353


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5C5CC5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey GKIMGPIDYWEMLB-YLLCFIMHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 610.3

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 7.19 7.19 7.19 ChEMBL
κ OPRK Human Opioid A pKi 6.76 6.76 6.76 ChEMBL
μ OPRM Human Opioid A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.61 8.61 8.61 ChEMBL
μ OPRM Human Opioid A pEC50 6.85 6.85 6.85 ChEMBL