CHEMBL238833


SMILES COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21
InChIKey HODPFCFYQOZXPB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 481.3

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 6.82 7.91 8.52 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.81 6.92 7.03 ChEMBL
δ OPRD Human Opioid A pKi 5.7 5.8 5.9 ChEMBL
μ OPRM Human Opioid A pKi 6.71 7.04 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 7.09 7.33 7.57 ChEMBL