zafirlukast


SMILES COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C
InChIKey YEEZWCHGZNKEEK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 575.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6RZ5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
motilin MTLR Human Motilin A pIC50 8.21 8.21 8.21 Drug Central
motilin MTLR Human Motilin A pIC50 6.2 6.2 6.2 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pIC50 6.0 6.0 6.0 ChEMBL