CHEMBL241357


SMILES COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1
InChIKey OMKMEVVZWURZKJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 529.3

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
NOP OPRX Human Opioid A pKi 8.52 8.52 8.52 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.43 6.43 6.43 ChEMBL
δ OPRD Human Opioid A pKi 5.93 5.93 5.93 ChEMBL
μ OPRM Human Opioid A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 7.89 7.89 7.89 ChEMBL