BDBM42044 4-[3-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester::4-[3-[4-(4-bromophenyl)-4-hydroxy-piperidino]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester::MLS000533866::SMR000141303::cid_2884923::ethyl 4-[3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate::ethyl 4-[3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate::ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2,5-dioxo-1-pyrrolidinyl}benzoate

SMILES ClC1=NC=CC(=C1)[C@@H](CC1=NC(=NC(=N1)N[C@@H](CO)CC(C)C)NS(=O)(=O)C)C

InChI Key InChIKey=VVYFUWZLVMWBPZ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42044   

TargetCX3C chemokine receptor 1(Human)
Astrazeneca

WIPO
LigandChemical structure of BindingDB Monomer ID 42044BDBM42044(N-(4-((R)-2-(2-Chloropyridin-4-yl)propyl)-6-(((R)-...)
Affinity DataIC50: 682nMAssay Description:The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
WIPO WO2024083933