GR 89696


SMILES COC(=O)N1CCN(C(C1)CN1CCCC1)C(=O)Cc1ccc(c(c1)Cl)Cl
InChIKey HJUAKZYKCANOOZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 413.1

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 Human Opioid A pKi 9.7 9.7 9.7 Guide to Pharmacology
κ OPRK Human Opioid A pKi 6.44 7.89 9.35 ChEMBL
μ OPRM Human Opioid A pKi 9.44 9.44 9.44 ChEMBL
μ OPRM Human Opioid A pKi 9.44 9.44 9.44 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 9.34 9.39 9.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pIC50 8.22 9.78 10.74 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.5 5.5 5.5 ChEMBL