LEUKOTRIENE D4


SMILES CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O
InChIKey YEESKJGWJFYOOK-IJHYULJSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 20
Molecular weight (Da) 496.3

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 Guinea pig Leukotriene A pKi 9.0 9.0 9.0 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pKi 9.22 9.38 9.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT2 CLTR2 Human Leukotriene A pEC50 8.36 8.36 8.36 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 8.15 8.65 9.15 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pEC50 9.05 9.05 9.05 ChEMBL