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Ligand

NameCHEMBL127341
Molecular formulaC22H16Cl2FNO3S
IUPAC name(E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-[(4-fluorophenyl)methoxy]pyridin-2-yl]prop-2-enoic acid
Molecular weight464.332
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50053352
SCHEMBL7022529
(E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-(4-fluoro-benzyloxy)-pyridin-2-yl]-acrylic acid
SCHEMBL7022537
Inchi KeyCHDOYCYCRUYHFH-PKNBQFBNSA-N
Inchi IDInChI=1S/C22H16Cl2FNO3S/c23-17-2-1-3-18(24)22(17)30-13-16-8-10-20(19(26-16)9-11-21(27)28)29-12-14-4-6-15(25)7-5-14/h1-11H,12-13H2,(H,27,28)/b11-9+
PubChem CID11798329
ChEMBLCHEMBL127341
IUPHARN/A
BindingDB50053352
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
41888Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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