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Ligand

NameCHEMBL113167
Molecular formulaC31H37NO6S
IUPAC name(E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[(3-methoxyphenyl)sulfinylmethyl]pyridin-2-yl]prop-2-enoic acid
Molecular weight551.698
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50042162
(E)-3-[[8-(4-Methoxyphenyl)octyl]oxy]-6-[[(3-methoxyphenyl)sulfinyl]methyl]pyridine-2-propenoic acid
3-{6-(3-Methoxy-benzenesulfinylmethyl)-3-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid
Inchi KeyDGJQLSJCNGPQKI-CZIZESTLSA-N
Inchi IDInChI=1S/C31H37NO6S/c1-36-26-16-13-24(14-17-26)10-7-5-3-4-6-8-21-38-30-19-15-25(32-29(30)18-20-31(33)34)23-39(35)28-12-9-11-27(22-28)37-2/h9,11-20,22H,3-8,10,21,23H2,1-2H3,(H,33,34)/b20-18+
PubChem CID23257891
ChEMBLCHEMBL113167
IUPHARN/A
BindingDBN/A
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
59318Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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