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Ligand

NameCHEMBL418852
Molecular formulaC21H22ClN3O4S
IUPAC name3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-(imidazol-1-ylmethyl)phenyl]propanoic acid
Molecular weight447.934
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL8309573
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-imidazol-1-ylmethyl-phenyl}-propionic acid
BDBM50060373
Inchi KeyKIDWBDAXUAZZFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3O4S/c22-19-2-4-20(5-3-19)30(28,29)24-8-7-17-11-16(1-6-21(26)27)12-18(13-17)14-25-10-9-23-15-25/h2-5,9-13,15,24H,1,6-8,14H2,(H,26,27)
PubChem CID10742084
ChEMBLCHEMBL418852
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
169733Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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