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Ligand

NameCHEMBL336548
Molecular formulaC18H18F3N3O3
IUPAC name6-[(E)-[pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxyhexanoic acid
Molecular weight381.355
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
Synonyms6-[[(Z)-alpha-(4-Pyridazinyl)-3-(trifluoromethyl)benzylidene]aminooxy]hexanoic acid
BDBM50053761
6-[1-Pyridazin-4-yl-1-(3-trifluoromethyl-phenyl)-meth-(E)-ylideneaminooxy]-hexanoic acid
Inchi KeyATVVPDIARSXVPM-JJIBRWJFSA-N
Inchi IDInChI=1S/C18H18F3N3O3/c19-18(20,21)15-6-4-5-13(11-15)17(14-8-9-22-23-12-14)24-27-10-3-1-2-7-16(25)26/h4-6,8-9,11-12H,1-3,7,10H2,(H,25,26)/b24-17+
PubChem CID10385168
ChEMBLCHEMBL336548
IUPHARN/A
BindingDB50053761
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14365Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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