Montelukast


SMILES CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S)O
InChIKey WZQJFYIKVBTOGT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 473.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BLT1 LT4R1 Human Leukotriene A pKi 5.0 5.0 5.0 PDSP Ki database
BLT2 LT4R2 Human Leukotriene A pKi 5.0 5.0 5.0 PDSP Ki database
CysLT1 CLTR1 Human Leukotriene A pKi 8.64 8.64 8.64 PDSP Ki database
CysLT2 CLTR2 Human Leukotriene A pKi 5.3 5.3 5.3 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database