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Ligand

NameCHEMBL321413
Molecular formulaC28H32BrF4N3O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2-fluoro-6-(trifluoromethyl)phenyl]methanone
Molecular weight598.481
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP6.6
Synonyms{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-fluoro-6-trifluoromethyl-phenyl)-methanone
BDBM50115511
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-[2-fluoro-6-(trifluoromethyl)phenyl]methanone
1,4'-Bipiperidine, 4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-1'-[2-fluoro-6-(trifluoromethyl)benzoyl]-4'-methyl-
Inchi KeyXBGWFPDHOIKUGB-YQCHCMBFSA-N
Inchi IDInChI=1S/C28H32BrF4N3O2/c1-3-38-34-25(19-7-9-21(29)10-8-19)20-11-15-36(16-12-20)27(2)13-17-35(18-14-27)26(37)24-22(28(31,32)33)5-4-6-23(24)30/h4-10,20H,3,11-18H2,1-2H3/b34-25+
PubChem CID9579312
ChEMBLCHEMBL321413
IUPHARN/A
BindingDB50115511
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
387499C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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