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Ligand

NameN-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-methylthiourea
Molecular formulaC20H20ClN3O3S
IUPAC name1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea
Molecular weight417.908
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
SynonymsMLS000544283
AC1NPNAW
CHEMBL1379059
MolPort-002-794-117
HMS2348P21
[ Show all ]
Inchi KeyACBIVSGMHXXZHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClN3O3S/c1-22-20(28)23(12-13-3-9-16(27-2)10-4-13)17-11-18(25)24(19(17)26)15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,28)
PubChem CID5206893
ChEMBLCHEMBL1379059
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
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GLASS IDNameUniProtGeneSpeciesLength
1401Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1402Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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