Detailed information for compound 1981982

Basic information

Technical information
  • TDR Targets ID: 1981982
  • Name: 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E )-2-phenylethenyl]benzimidazole
  • MW: 372.89 | Formula: C24H21ClN2
  • H donors: 0 H acceptors: 1 LogP: 6.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c(/C=C/c2ccccc2)nc2c1cc(C)c(c2)C
  • InChi: 1S/C24H21ClN2/c1-17-14-22-23(15-18(17)2)27(16-20-8-11-21(25)12-9-20)24(26-22)13-10-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3/b13-10+
  • InChiKey: DFNPOFPUTAASIC-JLHYYAGUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-phenylethenyl)benzimidazole
  • 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylvinyl]benzimidazole
  • 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-phenylvinyl)benzimidazole
  • 1-(4-chlorobenzyl)-5,6-dimethyl-2-[(E)-2-phenylvinyl]benzimidazole
  • 1-(4-chlorobenzyl)-5,6-dimethyl-2-(2-phenylvinyl)benzimidazole
  • 1J-518S
  • ZINC04050626
  • Bionet1_001379

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cytochrome P450 family protein 0.0021 0.1232 0.1232
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.1232 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.1232 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.5479 0.5479
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.1232 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.1232 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.1232 0.5
Mycobacterium leprae putative cytochrome p450 0.0021 0.1232 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.1232 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0066 0.8157 0.8157
Brugia malayi cytochrome P450 0.0021 0.1232 0.1232
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.2822 0.2822
Trypanosoma cruzi cytochrome P450, putative 0.0031 0.2822 0.1813
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0031 0.2822 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.5479 0.5479
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.1232 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0078 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 1 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.1232 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0045 0.4955 0.4955
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0078 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.1232 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0078 1 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.1232 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.2822 0.2822
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.1232 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0078 1 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.4851 0.4851
Brugia malayi Cytochrome P450 family protein 0.0031 0.2822 0.2822
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.4851 0.4851
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.4402 0.5
Schistosoma mansoni cytochrome P450 0.0021 0.1232 0.1232
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.1232 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0078 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0031 0.2822 0.1813
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.4851 0.4851
Echinococcus granulosus transcription factor Dp 1 0.0045 0.4955 0.4955
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.1232 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.1232 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.1232 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 1 1
Brugia malayi Cytochrome P450 family protein 0.0031 0.2822 0.2822
Brugia malayi Cytochrome P450 family protein 0.0066 0.8157 0.8157
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0078 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.1232 0.1232
Loa Loa (eye worm) CYP4Cod1 0.0031 0.2822 0.2822
Echinococcus multilocularis 0.0021 0.1232 0.1232
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.1232 0.5
Leishmania major cytochrome p450-like protein 0.0031 0.2822 0.1813
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0039 0.3949 0.3949
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.1232 0.5
Loa Loa (eye worm) cytochrome P450 0.0021 0.1232 0.1232
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.1232 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.1232 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.4851 0.4851
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.1232 0.5
Trypanosoma brucei cytochrome P450, putative 0.0031 0.2822 0.1813
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.1232 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.1232 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.4402 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4000 nM BindingDB_Patents: Potassium Channel Assay. Drugs belonging to different classes have been shown to be associated with QT prolongation and in some cases serious ventricular arrhythmias. The most common mechanism for these adverse events is the inhibition of one or more cardiac potassium channels, in particular hERG. This current is important for cardiac myocyte repolarization and is a common target for drugs that prolong the QT interval. Test articles in this study were therefore characterized to determine their ability to inhibit the hERG channel. Ion channel activity was measured using a stably transfected Chinese Hamster Ovary (CHO) cell line expressing the hERG mRNA. The pharmacology of this cloned channel expressed in the CHO cell line is very similar to that observed in native tissue. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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