CHEMBL1191324


SMILES C[S+]([O-])c1ccccc1NCC1=NCCN1
InChIKey ISEQCXURNCTUCR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 237.1

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 6.1 6.1 6.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.92 5.92 5.92 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pEC50 6.31 6.31 6.31 ChEMBL