compound 33 [Toda et al., 2013]


SMILES CCOCc1c(cnn1c1ncc(c(n1)N1CCCCC1)C)C(=O)NCc1cncn1C
InChIKey ATOKVTDUHKZLMB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 438.2

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
κ OPRK Rat Opioid A pKi 4.25 4.25 4.25 ChEMBL
μ OPRM Rat Opioid A pKi 4.94 4.94 4.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database