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Ligand

NameGemilukast
Molecular formulaC36H37F2NO5
IUPAC name4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
Molecular weight601.691
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.5
Synonyms4,4'-[4-fluoro-7-({4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl}ethynyl)-2-methyl-1H-indole-1,3-diyl]dibutanoic Acid
ONO 6950
1232861-58-3
CHEMBL3597634
SILHYVDKGHXGBL-UHFFFAOYSA-N
[ Show all ]
Inchi KeySILHYVDKGHXGBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
PubChem CID46830962
ChEMBLCHEMBL3597634
IUPHARN/A
BindingDB50104921
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
501835Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
501836Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340
501837Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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