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Ligand

NameCHEMBL140484
Molecular formulaC34H41BrN4O2
IUPAC name[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethyl-4-pyridin-4-ylphenyl)methanone
Molecular weight617.632
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.9
SynonymsBDBM50134046
O-Ethyl-N-[alpha-[1-[1-[4-(4-pyridyl)-2,6-dimethylbenzoyl]-4-methyl-4-piperidinyl]-4-piperidinyl]-4-bromobenzylidene]hydroxylamine
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-[2,6-dimethyl-4-(4-pyridyl)phenyl]methanone
(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,6-dimethyl-4-pyridin-4-yl-phenyl)-methanone
AC1O6QX2
[ Show all ]
Inchi KeyAKHBRWYRHRLXTB-FTTXPQLCSA-N
Inchi IDInChI=1S/C34H41BrN4O2/c1-5-41-37-32(27-6-8-30(35)9-7-27)28-12-18-39(19-13-28)34(4)14-20-38(21-15-34)33(40)31-24(2)22-29(23-25(31)3)26-10-16-36-17-11-26/h6-11,16-17,22-23,28H,5,12-15,18-21H2,1-4H3/b37-32-
PubChem CID6532436
ChEMBLCHEMBL140484
IUPHARN/A
BindingDB50134046
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
7529C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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