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Ligand

NameCHEMBL125766
Molecular formulaC23H28N4O4
IUPAC name4-[[2-butyl-5-[(E)-(3-butyl-2,5-dioxoimidazolidin-4-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid
Molecular weight424.501
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL9160864
SCHEMBL9164879
Inchi KeyAUXPIJYABCNQJF-CPNJWEJPSA-N
Inchi IDInChI=1S/C23H28N4O4/c1-3-5-7-20-24-14-18(13-19-21(28)25-23(31)26(19)12-6-4-2)27(20)15-16-8-10-17(11-9-16)22(29)30/h8-11,13-14H,3-7,12,15H2,1-2H3,(H,29,30)(H,25,28,31)/b19-13+
PubChem CID9979771
ChEMBLCHEMBL125766
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
15046Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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