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Ligand

NameCHEMBL337995
Molecular formulaC26H25Cl2NO4S
IUPAC name(E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-[4-(4-methoxyphenyl)butoxy]pyridin-2-yl]prop-2-enoic acid
Molecular weight518.449
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.7
Synonyms(E)-3-[4-(4-Methoxyphenyl)butoxy]-6-[[(2,6-dichlorophenyl)thio]methyl]pyridine-2-propenoic acid
BDBM50053351
SCHEMBL7019094
(E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[4-(4-methoxy-phenyl)-butoxy]-pyridin-2-yl}-acrylic acid
SCHEMBL7019099
Inchi KeyCNCBHMFRNJAUKC-FYWRMAATSA-N
Inchi IDInChI=1S/C26H25Cl2NO4S/c1-32-20-11-8-18(9-12-20)5-2-3-16-33-24-14-10-19(29-23(24)13-15-25(30)31)17-34-26-21(27)6-4-7-22(26)28/h4,6-15H,2-3,5,16-17H2,1H3,(H,30,31)/b15-13+
PubChem CID9958441
ChEMBLCHEMBL337995
IUPHARN/A
BindingDB50053351
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45929Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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