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Ligand

NameCHEMBL326356
Molecular formulaC21H27N3O4S
IUPAC name3-[3-(pyridin-3-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid
Molecular weight417.524
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL8309265
3-{3-Pyridin-3-ylmethyl-5-[2-(pyrrolidine-1-sulfonylamino)-ethyl]-phenyl}-propionic acid
BDBM50060391
Inchi KeyBSTJPYNZDQCBNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O4S/c25-21(26)6-5-17-12-18(7-9-23-29(27,28)24-10-1-2-11-24)14-20(13-17)15-19-4-3-8-22-16-19/h3-4,8,12-14,16,23H,1-2,5-7,9-11,15H2,(H,25,26)
PubChem CID10502084
ChEMBLCHEMBL326356
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
31986Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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