CHEMBL1254582


SMILES COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
InChIKey IHLSYSUPBGFXLU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 13
Molecular weight (Da) 439.2

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
α1B ADA1B Human Adrenoceptors A pKi 9.3 9.3 9.3 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.5 8.5 8.5 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.75 9.75 9.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database