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Ligand

NameCHEMBL115636
Molecular formulaC19H25N3O4S
IUPAC name3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight391.486
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.8
Synonyms3-{3-[2-(sulfo-[dimethylamine]-amino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
BDBM50060389
SCHEMBL8306801
Inchi KeyKYHWNHYXJBSHSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N3O4S/c1-22(2)27(25,26)21-9-7-16-10-15(5-6-19(23)24)11-18(12-16)13-17-4-3-8-20-14-17/h3-4,8,10-12,14,21H,5-7,9,13H2,1-2H3,(H,23,24)
PubChem CID10810477
ChEMBLCHEMBL115636
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
181119Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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