CHEMBL104042


SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
InChIKey SQZBAUUHDXMUTO-FNHZYXHNSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 299.2

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
κ OPRK Guinea pig Opioid A pKi 8.92 8.92 8.92 ChEMBL
δ OPRD Human Opioid A pKi 8.28 8.49 8.7 ChEMBL
δ OPRD Human Opioid A pKd 7.7 7.7 7.7 ChEMBL
κ OPRK Human Opioid A pKi 6.16 8.08 10.0 ChEMBL
μ OPRM Human Opioid A pKd 9.66 9.66 9.66 ChEMBL
μ OPRM Human Opioid A pKi 5.88 7.99 10.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.57 8.57 8.57 ChEMBL