CHEMBL1908852


SMILES CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)C/N=C(S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1
InChIKey JJRIXPZOUAXUDC-OUCJSPFXSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 851.2

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
κ OPRK Guinea pig Opioid A pKi 9.51 9.51 9.51 ChEMBL
δ OPRD Human Opioid A pKi 7.36 7.55 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 8.92 8.92 8.92 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 9.77 9.77 9.77 ChEMBL