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Ligand

NameCHEMBL115805
Molecular formulaC23H23NO4S
IUPAC name3-[3-[2-(benzenesulfonyl)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight409.5
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
Synonyms3-[3-(2-Benzenesulfonyl-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid
BDBM50060393
SCHEMBL8306733
Inchi KeyHOJVQVXWXVDWQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23NO4S/c25-23(26)9-8-18-13-19(10-12-29(27,28)22-6-2-1-3-7-22)15-21(14-18)16-20-5-4-11-24-17-20/h1-7,11,13-15,17H,8-10,12,16H2,(H,25,26)
PubChem CID10549479
ChEMBLCHEMBL115805
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
120048Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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