BAYu9773


SMILES CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O
InChIKey PKJINWOACFYDQN-RBVMPENBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 17
Molecular weight (Da) 472.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Guinea pig Leukotriene A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Human Leukotriene A pIC50 5.83 5.83 5.83 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pEC50 7.1 7.1 7.1 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pIC50 6.22 6.47 7.74 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pKB 6.5 6.6 6.7 Guide to Pharmacology
CysLT2 CLTR2 Rat Leukotriene A pA2 6.8 7.25 7.7 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pIC50 6.52 6.52 6.52 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 6.36 6.36 6.36 ChEMBL