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Ligand

NameCHEMBL116704
Molecular formulaC24H26N2O4S
IUPAC name3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight438.542
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
Synonyms3-{3-Pyridin-3-ylmethyl-5-[2-(toluene-4-sulfonylamino)-ethyl]-phenyl}-propionic acid
BDBM50060395
SCHEMBL8310769
Inchi KeyBWGGIGNNYKWFDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O4S/c1-18-4-7-23(8-5-18)31(29,30)26-12-10-20-13-19(6-9-24(27)28)14-22(15-20)16-21-3-2-11-25-17-21/h2-5,7-8,11,13-15,17,26H,6,9-10,12,16H2,1H3,(H,27,28)
PubChem CID10670672
ChEMBLCHEMBL116704
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
34408Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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