CHEMBL14213


SMILES COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1
InChIKey BEJGRQHTUSMJBJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 476.2

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
α1A ADA1A Bovine Adrenoceptors A pKi 9.36 9.36 9.36 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.15 9.15 9.15 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.35 8.35 8.35 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.58 8.58 8.58 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.51 8.51 8.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database