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Ligand

NameCHEMBL320502
Molecular formulaC28H35F3N4O3
IUPAC name(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-[4-[(Z)-N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight532.608
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.2
Synonyms(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone
BDBM50115531
Pyridine, 3-[[4-[(Z)-(methoxyimino)[4-(trifluoromethyl)phenyl]methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2,4-dimethyl-, 1-oxide
Inchi KeyJOMKXVYAEOFACX-WGPBWIAQSA-N
Inchi IDInChI=1S/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3/b32-25+
PubChem CID9579326
ChEMBLCHEMBL320502
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
156033C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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