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Ligand

NameCHEMBL177221
Molecular formulaC26H22O7
IUPAC name(Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-4-oxobut-2-enoic acid
Molecular weight446.455
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50146608
(Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4-(4-methoxy-phenyl)-4-oxo-but-2-enoic acid
Inchi KeyCCYNDHNVPJAGKJ-FLFQWRMESA-N
Inchi IDInChI=1S/C26H22O7/c1-30-19-9-6-17(7-10-19)25(27)21(13-16-4-3-5-20(12-16)31-2)24(26(28)29)18-8-11-22-23(14-18)33-15-32-22/h3-12,14H,13,15H2,1-2H3,(H,28,29)/b24-21-
PubChem CID10789525
ChEMBLCHEMBL177221
IUPHARN/A
BindingDB50146608
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
39061Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
39062Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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