CHEMBL117094


SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1
InChIKey MCTRZCCYVQDHLM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 253.1

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
α1A ADA1A Human Adrenoceptors A pKi 6.23 6.23 6.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.25 5.25 5.25 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pEC50 5.5 5.5 5.5 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 7.25 7.28 7.3 ChEMBL