CHEMBL29907


SMILES COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC
InChIKey FNKMCGSVNLLYKM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 449.1

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 6.94 6.94 6.94 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database