CHEMBL321644


SMILES O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1
InChIKey ZTIJSDAZRCWHKE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 359.1

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 Rat Adrenoceptors A pKd 4.37 4.37 4.37 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.6 6.75 6.91 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rabbit Adrenoceptors A pEC50 5.55 5.55 5.55 ChEMBL