pranlukast


SMILES O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1
InChIKey NBQKINXMPLXUET-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 481.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6RZ4

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Human Leukotriene A pKi 7.1 7.95 8.8 Guide to Pharmacology
GPR17 GPR17 Human A orphans A pKi 5.39 5.39 5.39 ChEMBL
CysLT1 CLTR1 Guinea pig Leukotriene A pKi 9.1 9.1 9.1 ChEMBL
GPR17 GPR17 Human A orphans A pKi 8.27 8.27 8.27 Drug Central
CysLT1 CLTR1 Guinea pig Leukotriene A pKi 8.04 8.04 8.04 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Human Leukotriene A pIC50 8.14 9.13 8.37 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pIC50 5.44 5.44 5.44 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pA2 7.1 7.1 7.1 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pIC50 4.37 4.91 5.44 ChEMBL
CysLT1 CLTR1 Guinea pig Leukotriene A pIC50 9.0 9.68 10.36 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 7.64 8.37 9.1 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 8.0 8.0 8.0 Drug Central
CysLT2 CLTR2 Human Leukotriene A pIC50 8.26 8.26 8.26 Drug Central