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Ligand

NameCHEMBL355413
Molecular formulaC23H17NO6
IUPAC name2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-2-phenylacetic acid
Molecular weight403.39
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50085856
SCHEMBL8124618
[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-phenyl-acetic acid (0.75H2O)
Inchi KeyFNGMUDVQNLIJNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17NO6/c24-12-17-7-8-18(27-13-15-6-9-19-21(10-15)29-14-28-19)11-20(17)30-22(23(25)26)16-4-2-1-3-5-16/h1-11,22H,13-14H2,(H,25,26)
PubChem CID10763680
ChEMBLCHEMBL355413
IUPHARN/A
BindingDB50085856
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
82566Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
82567Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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