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Ligand

NameCHEMBL127376
Molecular formulaC23H18Cl3NO3S
IUPAC name(E)-3-[3-[2-(4-chlorophenyl)ethoxy]-6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridin-2-yl]prop-2-enoic acid
Molecular weight494.811
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50053350
SCHEMBL7016952
(E)-3-[3-[2-(4-Chloro-phenyl)-ethoxy]-6-(2,6-dichloro-phenylsulfanylmethyl)-pyridin-2-yl]-acrylic acid
SCHEMBL7020389
Inchi KeyDKFXKRDXBHWXLH-PKNBQFBNSA-N
Inchi IDInChI=1S/C23H18Cl3NO3S/c24-16-6-4-15(5-7-16)12-13-30-21-10-8-17(27-20(21)9-11-22(28)29)14-31-23-18(25)2-1-3-19(23)26/h1-11H,12-14H2,(H,28,29)/b11-9+
PubChem CID10529241
ChEMBLCHEMBL127376
IUPHARN/A
BindingDB50053350
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
62171Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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