St 587


SMILES Clc1ccc(cc1NC1=NCCN1)C(F)(F)F
InChIKey WIAICRSVMJHHJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 263.0

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
α1D ADA1D Rat Adrenoceptors A pKi 6.5 6.5 6.5 Guide to Pharmacology
α2B ADA2B Rat Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.81 5.81 5.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database