CHEMBL2113381


SMILES CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5
InChIKey LQSPBMZMOPAOOK-UKRMFAJRSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 457.2

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
δ OPRD Human Opioid A pKi 8.68 8.68 8.68 ChEMBL
κ OPRK Human Opioid A pKi 6.14 6.14 6.14 ChEMBL
μ OPRM Human Opioid A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.48 8.48 8.48 ChEMBL
κ OPRK Human Opioid A pEC50 7.25 7.25 7.25 ChEMBL
μ OPRM Human Opioid A pEC50 6.83 6.83 6.83 ChEMBL