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Ligand

NameCHEMBL117752
Molecular formulaC21H23N3O4S
IUPAC name3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propanoic acid
Molecular weight413.492
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL8308769
3-[3-(2-Benzenesulfonylamino-ethyl)-5-imidazol-1-ylmethyl-phenyl]-propionic acid
BDBM50060382
Inchi KeyDOUQUVSMHBZKHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N3O4S/c25-21(26)7-6-17-12-18(14-19(13-17)15-24-11-10-22-16-24)8-9-23-29(27,28)20-4-2-1-3-5-20/h1-5,10-14,16,23H,6-9,15H2,(H,25,26)
PubChem CID10835548
ChEMBLCHEMBL117752
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
65356Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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