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Ligand

NameCHEMBL138640
Molecular formulaC26H31BrCl2N4O3
IUPAC name[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methanone
Molecular weight598.363
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
Synonyms[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methanone
AC1O6T68
Methanone, (4-bromophenyl)[1'-[(3,5-dichloro-1-oxido-4-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (E)-
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)methanone
Inchi KeyAJWURRMFQLSLOO-KRUMMXJUSA-N
Inchi IDInChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b30-24-
PubChem CID6533781
ChEMBLCHEMBL138640
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
7300C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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