CHEMBL343283


SMILES COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC
InChIKey LPHYFVMMGUVREO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
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 8.07 8.07 8.07 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.77 6.77 6.77 ChEMBL