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Ligand

NameCHEMBL117294
Molecular formulaC24H25ClN2O4S
IUPAC name3-[3-[2-[(4-chlorophenyl)sulfonyl-methylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight472.984
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50060376
3-(3-{2-[(4-Chloro-benzenesulfonyl)-methyl-amino]-ethyl}-5-pyridin-3-ylmethyl-phenyl)-propionic acid
Inchi KeyFPQAOWGFSPHQGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN2O4S/c1-27(32(30,31)23-7-5-22(25)6-8-23)12-10-19-13-18(4-9-24(28)29)14-21(15-19)16-20-3-2-11-26-17-20/h2-3,5-8,11,13-15,17H,4,9-10,12,16H2,1H3,(H,28,29)
PubChem CID10576417
ChEMBLCHEMBL117294
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
84243Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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