CHEMBL122621


SMILES COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1
InChIKey JHIDYRALRAUPRT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 27
Molecular weight (Da) 590.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1D ADA1D Rat Adrenoceptors A pIC50 5.3 5.3 5.3 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 4.17 4.17 4.17 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 4.79 4.79 4.79 ChEMBL