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Ligand

NameCHEMBL175545
Molecular formulaC26H24O6
IUPAC name(Z)-3-benzyl-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
Molecular weight432.472
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50146617
(Z)-3-Benzyl-2-(3,5-dimethoxy-phenyl)-4-(4-methoxy-phenyl)-4-oxo-but-2-enoic acid
Inchi KeyBKOOULKRMYPLAF-VHXPQNKSSA-N
Inchi IDInChI=1S/C26H24O6/c1-30-20-11-9-18(10-12-20)25(27)23(13-17-7-5-4-6-8-17)24(26(28)29)19-14-21(31-2)16-22(15-19)32-3/h4-12,14-16H,13H2,1-3H3,(H,28,29)/b24-23-
PubChem CID10598840
ChEMBLCHEMBL175545
IUPHARN/A
BindingDB50146617
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
25969Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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