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Ligand

NameCHEMBL174235
Molecular formulaC24H18N2O5
IUPAC name2-[5-(1,3-benzoxazol-6-ylmethoxy)-2-cyanophenoxy]-2-(2-methylphenyl)acetic acid
Molecular weight414.417
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50085845
SCHEMBL8125237
[5-(Benzooxazol-6-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid (0.5H2O)
Inchi KeyAJHOFCFEXQXDCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18N2O5/c1-15-4-2-3-5-19(15)23(24(27)28)31-21-11-18(8-7-17(21)12-25)29-13-16-6-9-20-22(10-16)30-14-26-20/h2-11,14,23H,13H2,1H3,(H,27,28)
PubChem CID10740501
ChEMBLCHEMBL174235
IUPHARN/A
BindingDB50085845
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
6925Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
6926Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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