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Ligand

NameCHEMBL324059
Molecular formulaC22H30N2O4S
IUPAC name3-[3-[2-(2,2-dimethylpropylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight418.552
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50060399
SCHEMBL8306901
3-{3-[2-(2,2-Dimethyl-propane-1-sulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
Inchi KeyJABUGNFZMXGDBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O4S/c1-22(2,3)16-29(27,28)24-10-8-18-11-17(6-7-21(25)26)12-20(13-18)14-19-5-4-9-23-15-19/h4-5,9,11-13,15,24H,6-8,10,14,16H2,1-3H3,(H,25,26)
PubChem CID10669723
ChEMBLCHEMBL324059
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
145730Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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