CHEMBL2048772


SMILES Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1
InChIKey AKXJCYPYNHMHEQ-WYMJOSIYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 402.3

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
δ OPRD Human Opioid A pKi 7.39 7.39 7.39 ChEMBL
κ OPRK Human Opioid A pKi 9.44 9.44 9.44 ChEMBL
μ OPRM Human Opioid A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.41 8.41 8.41 ChEMBL
μ OPRM Human Opioid A pIC50 8.46 8.46 8.46 ChEMBL