ORGANON


SMILES COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1
InChIKey HDTXDTWVQLQAMW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 437.3

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 7.33 8.21 8.7 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.86 7.0 7.14 ChEMBL
δ OPRD Human Opioid A pKi 5.67 6.07 6.43 ChEMBL
μ OPRM Human Opioid A pKi 6.96 7.22 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 6.17 7.1 7.42 ChEMBL