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Ligand

NameSMR000142584
Molecular formulaC24H26N2O7S
IUPAC namemethyl 2-[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-1-yl]acetate
Molecular weight486.539
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.8
Synonymsmethyl [3-(4-ethoxyphenyl)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1-imidazolidinyl]acetate
AC1NWWGM
MolPort-002-247-663
HMS2336I11
MLS000535148
[ Show all ]
Inchi KeyAFIFBGJPRPVFJU-WQRHYEAKSA-N
Inchi IDInChI=1S/C24H26N2O7S/c1-6-33-17-9-7-16(8-10-17)26-23(28)18(25(24(26)34)14-21(27)31-4)11-15-12-19(29-2)22(32-5)20(13-15)30-3/h7-13H,6,14H2,1-5H3/b18-11-
PubChem CID5737580
ChEMBLCHEMBL1416473
IUPHARN/A
BindingDBN/A
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
4175Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4174Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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