iralukast


SMILES CCCc1c(OCCCC/C=C\C=C\[C@@H]([C@@H](c2cccc(c2)C(F)(F)F)O)Sc2ccc3c(c2)oc(cc3=O)C(=O)O)ccc(c1O)C(=O)C
InChIKey IXJCHVMUTFCRBH-SDUHDBOFSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight (Da) 710.2

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
CysLT1 CLTR1 Human Leukotriene A pKi 7.8 7.8 7.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT2 CLTR2 Human Leukotriene A pA2 6.8 6.8 6.8 Guide to Pharmacology