CHEMBL200580


SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
InChIKey VFBXMTYMQDPWHB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 453.2

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
α1B ADA1B Human Adrenoceptors A pKi 9.4 9.4 9.4 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.76 7.76 7.76 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 10.0 10.0 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database