ACQ090


SMILES COc1ccc(cn1)CC(CN1C[C@@H]2CCCC[C@@H]2[C@@H](C1)C(=O)N1CCN(CC1)c1ccc(c(c1)F)F)C
InChIKey RDSAUPRYZCQORM-RIVQXRJNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 526.3

Drug properties

Molecular type Small molecule
Endogenous/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 8.7 8.7 8.7 Guide to Pharmacology
NOP OPRX Human Opioid A pKi 8.64 9.02 9.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 8.3 8.3 8.3 Guide to Pharmacology
NOP OPRX Human Opioid A pIC50 8.25 8.59 8.82 ChEMBL
κ OPRK Human Opioid A pIC50 5.8 5.82 5.85 ChEMBL
μ OPRM Human Opioid A pIC50 5.47 5.56 5.66 ChEMBL