CHEMBL74071


SMILES CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1
InChIKey XDUYFOWMTMCCEI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 281.1

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 6.0 6.0 6.0 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.57 5.57 5.57 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.55 5.55 5.55 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.53 5.53 5.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pEC50 5.71 5.71 5.71 ChEMBL