CHEMBL391422


SMILES COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(C[S+](C)[O-])c4ccccc43)CC2)C(C)C)c1
InChIKey NJNIGQAAZMBCME-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 513.3

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
NOP OPRX Human Opioid A pKi 8.4 8.4 8.4 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.2 6.2 6.2 ChEMBL
δ OPRD Human Opioid A pKi 5.83 5.83 5.83 ChEMBL
μ OPRM Human Opioid A pKi 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 8.1 8.1 8.1 ChEMBL