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Ligand

NameCHEMBL419735
Molecular formulaC28H37ClN4O3
IUPAC name[4-[4-[(Z)-C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Molecular weight513.079
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsPyridine, 3-[[4-[(Z)-(4-chlorophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2,4-dimethyl-, 1-oxide
[4-[4-[(Z)-C-(4-chlorophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone
{4-[(4-Chloro-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
BDBM50115548
Inchi KeyDLDMOIDCLHDMPT-URGPHPNLSA-N
Inchi IDInChI=1S/C28H37ClN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+
PubChem CID9579333
ChEMBLCHEMBL419735
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
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GLASS IDNameUniProtGeneSpeciesLength
62835C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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