REV-5901


SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIKey JRLOEMCOOZSCQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 335.2

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 5.1 5.34 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Human Leukotriene A pIC50 5.96 5.96 5.96 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
GPBA GPBAR Human Bile acid A pEC50 5.6 5.6 5.6 ChEMBL