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Ligand

NameCHEMBL173431
Molecular formulaC22H18N2O4
IUPAC name2-[2-cyano-5-(pyridin-2-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid
Molecular weight374.396
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50085857
[2-Cyano-5-(pyridin-2-ylmethoxy)-phenoxy]-o-tolyl-acetic acid
Inchi KeyBRQHOFBHPKKIHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18N2O4/c1-15-6-2-3-8-19(15)21(22(25)26)28-20-12-18(10-9-16(20)13-23)27-14-17-7-4-5-11-24-17/h2-12,21H,14H2,1H3,(H,25,26)
PubChem CID10667115
ChEMBLCHEMBL173431
IUPHARN/A
BindingDB50085857
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
31246Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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