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Ligand

NameCHEMBL45460
Molecular formulaC19H27N4O3-
IUPAC name1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)heptoxy]phenyl]ethanone
Molecular weight359.45
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsAJ-64270
sodium 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone
1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone; with sodium ion
BDBM50036749
Sodium salt of 1-{5-Ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)-heptyloxy]-phenyl}-ethanone
Inchi KeyFKBUCAKNDBEHSA-UHFFFAOYSA-M
Inchi IDInChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
PubChem CID86310951
ChEMBLN/A
IUPHARN/A
BindingDB50036749
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
80257Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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