CHEMBL2048764


SMILES c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)OCO2
InChIKey JSKRFEDZROYDSL-IHTKTJBKSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 444.3

Drug properties

Molecular type Small molecule
Endogenous/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 7.28 7.28 7.28 ChEMBL
κ OPRK Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
μ OPRM Human Opioid A pKi 9.47 9.47 9.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.57 7.57 7.57 ChEMBL
μ OPRM Human Opioid A pEC50 8.44 8.44 8.44 ChEMBL
μ OPRM Human Opioid A pIC50 7.03 7.03 7.03 ChEMBL