CHEMBL239043


SMILES COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21
InChIKey LTMJVVWUKDXQNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 495.3

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 6.43 7.98 8.7 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.3 6.36 6.41 ChEMBL
δ OPRD Human Opioid A pKi 5.67 5.67 5.67 ChEMBL
μ OPRM Human Opioid A pKi 6.56 6.81 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 5.11 6.65 7.62 ChEMBL