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Ligand

NameCHEMBL93097
Molecular formulaC26H23NO6
IUPAC name(4R)-4-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-4-(2-methylphenyl)butanoic acid
Molecular weight445.471
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50065522
(R)-4-[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-4-o-tolyl-butyric acid
(R)-4-[2-Cyano-5-(1,3-benzodioxole-5-ylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid
Inchi KeyFYSOOPQBBYQVJU-JOCHJYFZSA-N
Inchi IDInChI=1S/C26H23NO6/c1-17-4-2-3-5-21(17)22(10-11-26(28)29)33-24-13-20(8-7-19(24)14-27)30-15-18-6-9-23-25(12-18)32-16-31-23/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,28,29)/t22-/m1/s1
PubChem CID10599453
ChEMBLCHEMBL93097
IUPHARN/A
BindingDB50065522
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
90499Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
90500Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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