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Ligand

Name1-[4-(4-benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl]ethanone
Molecular formulaC24H26N4OS
IUPAC name1-[4-(4-benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Molecular weight418.559
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsAC1NPSE8
MLS000727769
CHEMBL1328236
MolPort-003-002-927
HMS2676L05
[ Show all ]
Inchi KeyAHMLOLDNWKPJLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N4OS/c1-18-22(19(2)29)23(25-24(30)28(18)21-11-7-4-8-12-21)27-15-13-26(14-16-27)17-20-9-5-3-6-10-20/h3-12H,13-17H2,1-2H3
PubChem CID5184323
ChEMBLCHEMBL1328236
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
463568Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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