IndraLab

Statements

KCNH2 binds ion channel. 15 / 15
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"For this reason it was desired to lower interactions with the hERG and other ion channels."
19469546
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"Introduction of a piperazine and C-atom-linked piperidine ring led to compounds with reduced lipophilicity, promising CCR5 affinity and decreased hERG ion channel binding (Table 18) [83]."
| PMC
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"The authors hypothesize that the inhibitory mechanism might be mediated via an interaction between Na,K,ATPase and other ion channels like the voltage-gated K+ channel hERG, whose expression is induced by CMV infection and downregulated by cardiac glycoside treatment [15]."
30042322
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"XREF_BIBR, XREF_BIBR Compounds with PFI values> 7 (chromatographic log D 7.4 + aromatic ring count) are much more likely to be problematic in terms of physicochemical properties and other drug development issues (i.e. membrane permeability, metabolism and clearance, protein binding, hERG ion channel binding)."
31373203
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"Introduction of a piperazine and C-atom-linked piperidine ring led to compounds with reduced lipophilicity, promising CCR5 affinity and decreased hERG ion channel binding (Table 18 ) [83] ."
| PMC
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"The oxacyclic group effect of compound 33 against hERG ion channel binding might be associated with sigma-electron withdrawing effect of the ether oxygen atom for reducing electron density of the adja[MISSING/INVALID CREDENTIALS: limited to 200 char for Elsevier]"
27043173
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"Unfortunately, an inhibition of CYP 2D6 (1.6 μM) and hERG ion channel binding (7.3 μM) were detected [46]."
| PMC
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"Unfortunately, many of the higher activity hits, like GSK-1 ( xref ), had multiple undesirable properties for screening hits (i.e. low ligand efficiency ≤ 0.25, high molecular weight >450, >3 aromatic rings, or property forecast index (PFI) values >8). xref , xref Compounds with PFI values > 7 (chromatographic log D 7.4 + aromatic ring count) are much more likely to be problematic in terms of physicochemical properties and other drug development issues (i.e. membrane permeability, metabolism/clearance, protein binding, hERG ion channel binding)."
31373203
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"The human ether-a-go-go-related gene (HERG) protein forms the ion channel responsible for the rapidly acting delayed rectifier potassium current, I(Kr), and its blockade is a significant contributor to prolongation of the QT interval."
16711756
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"The oxacyclic group effect of compound 33 against hERG ion channel binding might be associated with σ-electron withdrawing effect of the ether oxygen atom for reducing electron density of the adjace[MISSING/INVALID CREDENTIALS: limited to 200 char for Elsevier]"
27043173
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"The hERG ion channel is formed by the KCNH2 protein that consists of six transmembrane alpha helices, a pore helix and cytoplasmically located N- and C-termini."
29548277
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"Unfortunately, an inhibition of CYP 2D6 (1.6 μM) and hERG ion channel binding (7.3 μM) were detected [46] ."
| PMC
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"As supporting data in the previous study in vitro in terms of the electron effects, MCOPPB that has NH -piperidine (electron-poor ring) as 2-substituent on its benzimidazole moiety showed little hERG [MISSING/INVALID CREDENTIALS: limited to 200 char for Elsevier]"
27043173
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"In this issue Yarema and co-workers use a dual in silico/experimental approach to address this challenge, systematically defining the impact of variables such as acyl chain length and ester regiochemistry on important pharmacological parameters including solubility and hERG ion channel binding."
29502427
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"In the design and SAR studies of the analogs against hERG ion channel binding affinity in vitro, several effective structures and significant and/or useful contributing-factors for reducing affinities[MISSING/INVALID CREDENTIALS: limited to 200 char for Elsevier]"
27043173