CHEMBL391234


SMILES COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21
InChIKey JFJLRJIRAMFOPA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 523.3

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 8.3 8.3 8.3 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.17 6.17 6.17 ChEMBL
δ OPRD Human Opioid A pKi 5.51 5.51 5.51 ChEMBL
μ OPRM Human Opioid A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 6.91 6.91 6.91 ChEMBL