CHEMBL40836


SMILES COc1ccc(-c2csc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)O)CC4)c3)n2)cc1
InChIKey ABUORUUTGDPPSU-CFGRSBKHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 14
Molecular weight (Da) 613.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Guinea pig Leukotriene A pIC50 6.86 6.94 7.01 ChEMBL