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Ligand

NameCHEMBL139254
Molecular formulaC33H33FO5S
IUPAC name2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]sulfanylbenzoic acid
Molecular weight560.68
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP9.0
Synonyms2-[[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]thio]benzoic acid
BDBM50029484
2-[2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl) -5-hydroxyphenoxy]propoxy]thiophenoxy]benzoic acid
2-{3-[3-(5-Ethyl-4''-fluoro-2-hydroxy-biphenyl-4-yloxy)-propoxy]-2-propyl-phenylsulfanyl}-benzoic acid
CAVSVHMDTRPSFI-UHFFFAOYSA-N
[ Show all ]
Inchi KeyCAVSVHMDTRPSFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33FO5S/c1-3-9-25-29(11-7-13-31(25)40-32-12-6-5-10-26(32)33(36)37)38-18-8-19-39-30-21-28(35)27(20-22(30)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)
PubChem CID9872540
ChEMBLCHEMBL139254
IUPHARN/A
BindingDB50029484
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
37568Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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