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Ligand

NameCHEMBL91753
Molecular formulaC25H24N2O4S
IUPAC name4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid
Molecular weight448.537
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
Synonyms4-[2-(1H-Pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
BDBM50065525
SCHEMBL7907617
4-[2-(1H-Pyrazole-3-yl)-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid
Inchi KeyBSJOXPZITWSTQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N2O4S/c1-17-4-2-3-5-20(17)23(8-9-25(28)29)31-24-14-19(30-15-18-11-13-32-16-18)6-7-21(24)22-10-12-26-27-22/h2-7,10-14,16,23H,8-9,15H2,1H3,(H,26,27)(H,28,29)
PubChem CID11797717
ChEMBLCHEMBL91753
IUPHARN/A
BindingDB50065525
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31730Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
31731Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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