CHEMBL3973642


SMILES O=C(O)CC1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)C1
InChIKey KXQUUTPIFSNNLQ-KIPATQCGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 504.3

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 5.35 5.35 5.35 ChEMBL
κ OPRK Human Opioid A pKi 6.87 6.87 6.87 ChEMBL
μ OPRM Human Opioid A pKi 6.31 6.31 6.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database