Detailed information for compound 1457293

Basic information

Technical information
  • TDR Targets ID: 1457293
  • Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethy l]benzimidazol-5-yl]-2-(3-methylphenoxy)aceta mide
  • MW: 421.535 | Formula: C24H31N5O2
  • H donors: 1 H acceptors: 2 LogP: 2.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)COc1cccc(c1)C
  • InChi: 1S/C24H31N5O2/c1-18-5-4-6-20(15-18)31-17-24(30)25-19-7-8-22-21(16-19)26-23(28(22)3)9-10-29-13-11-27(2)12-14-29/h4-8,15-16H,9-14,17H2,1-3H3,(H,25,30)
  • InChiKey: MYAZFJGERDNGPR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-methyl-2-[2-(4-methyl-1-piperazinyl)ethyl]-5-benzimidazolyl]-2-(3-methylphenoxy)acetamide
  • N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-(3-methylphenoxy)ethanamide
  • MLS000083591
  • SMR000047160

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.3822 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.7647 1
Schistosoma mansoni hypothetical protein 0.0035 0.5212 0.6008
Leishmania major hypothetical protein, conserved 0.003 0.3822 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.4447 0.4753
Entamoeba histolytica hypothetical protein 0.0043 0.7647 1
Echinococcus multilocularis lamin dm0 0.0033 0.4447 0.4753
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1549 0.5
Brugia malayi hypothetical protein 0.003 0.3822 0.3822
Onchocerca volvulus 0.0033 0.4447 0.5
Schistosoma mansoni lamin 0.0033 0.4447 0.4753
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1549 0.5
Echinococcus granulosus lamin 0.0033 0.4447 0.4753
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1549 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3822 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1549 0.1549
Echinococcus multilocularis musashi 0.0033 0.4447 0.4753
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1549 0.1549
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.3822 1
Entamoeba histolytica hypothetical protein 0.0043 0.7647 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1549 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.3822 1
Schistosoma mansoni hypothetical protein 0.0043 0.7647 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1549 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.4272 0.4272
Schistosoma mansoni lamin 0.0033 0.4447 0.4753
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4447 0.4447
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4447 0.4447
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.7647 1
Brugia malayi hypothetical protein 0.0043 0.7647 0.7647
Echinococcus granulosus lamin dm0 0.0033 0.4447 0.4753
Loa Loa (eye worm) hypothetical protein 0.003 0.3822 0.3822
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3822 1
Brugia malayi hypothetical protein 0.002 0.0649 0.0649
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3822 1
Entamoeba histolytica hypothetical protein 0.0043 0.7647 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4447 0.4447
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.5212 0.5212
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4447 0.4447
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1549 0.5
Onchocerca volvulus 0.0033 0.4447 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.7647 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1549 0.5
Echinococcus multilocularis lamin 0.0033 0.4447 0.4753
Loa Loa (eye worm) hypothetical protein 0.0035 0.5212 0.5212
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3822 1
Brugia malayi intermediate filament protein 0.0033 0.4447 0.4447
Echinococcus granulosus intermediate filament protein 0.0033 0.4447 0.4753
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.7647 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0011 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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