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Ligand

NameCHEMBL115387
Molecular formulaC23H23FN2O4S
IUPAC name3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight442.505
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsSCHEMBL8310212
3-{3-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
BDBM50060379
Inchi KeyKLQPDNUPUFPWKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23FN2O4S/c24-21-4-6-22(7-5-21)31(29,30)26-11-9-18-12-17(3-8-23(27)28)13-20(14-18)15-19-2-1-10-25-16-19/h1-2,4-7,10,12-14,16,26H,3,8-9,11,15H2,(H,27,28)
PubChem CID10789321
ChEMBLCHEMBL115387
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
172237Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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