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Ligand

NameMLS000589671
Molecular formulaC19H16ClN3O3S
IUPAC name3-[[4-chloro-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Molecular weight401.865
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsCHEMBL3199815
3-[4-Chloro-2-oxo-5-(o-tolyl-hydrazonomethyl)-thiazol-3-ylmethyl]-benzoic acid
SMR000219454
AKOS001044549
3-{[4-chloro-5-{(E)-[2-(2-methylphenyl)hydrazinylidene]methyl}-2-oxo-1,3-thiazol-3(2H)-yl]methyl}benzoic acid
[ Show all ]
Inchi KeyACWIYMILUIVTKE-UFFVCSGVSA-N
Inchi IDInChI=1S/C19H16ClN3O3S/c1-12-5-2-3-8-15(12)22-21-10-16-17(20)23(19(26)27-16)11-13-6-4-7-14(9-13)18(24)25/h2-10,22H,11H2,1H3,(H,24,25)/b21-10+
PubChem CID9662646
ChEMBLCHEMBL3199815
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
1997Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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