Detailed information for compound 870738

Basic information

Technical information
  • TDR Targets ID: 870738
  • Name: 1-ethyl-N-(thiophen-2-ylmethyl)benzimidazol-2 -amine
  • MW: 257.354 | Formula: C14H15N3S
  • H donors: 1 H acceptors: 1 LogP: 3.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(NCc2cccs2)nc2c1cccc2
  • InChi: 1S/C14H15N3S/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
  • InChiKey: LCRDMJORNGCEFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethyl-N-(2-thienylmethyl)benzimidazol-2-amine
  • 1-ethyl-N-(2-thienylmethyl)-2-benzimidazolamine
  • (1-ethylbenzimidazol-2-yl)-(2-thienylmethyl)amine
  • Oprea1_610792
  • (1-Ethyl-1H-benzoimidazol-2-yl)-thiophen-2-ylmethyl-amine
  • BAS 00619400
  • Oprea1_671425
  • 1-ethyl-N-(2-thienylmethyl)-1H-benzimidazol-2-amine
  • MLS000061681
  • SMR000070016
  • Enamine_000642
  • STK080399
  • ZINC00196192

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5732 0.5732
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0427 0.9623 1
Plasmodium vivax histone deacetylase, putative 0.0435 0.9835 1
Leishmania major histone deacetylase, putative 0.0435 0.9835 1
Schistosoma mansoni histone deacetylase hda2 0.0196 0.3264 0.3264
Echinococcus multilocularis histone deacetylase 8 0.0196 0.3264 0.3264
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0427 0.9623 1
Leishmania major histone deacetylase, putative 0.0435 0.9835 1
Echinococcus multilocularis histone deacetylase 6 0.0435 0.9835 0.9835
Schistosoma mansoni histone deacetylase 0.0427 0.9623 0.9623
Trichomonas vaginalis histone deacetylase, putative 0.0427 0.9623 1
Brugia malayi Histone deacetylase family protein 0.0435 0.9835 1
Giardia lamblia Histone deacetylase 0.0427 0.9623 1
Plasmodium vivax histone deacetylase 1, putative 0.0427 0.9623 0.9677
Brugia malayi histone deacetylase 1 (HD1) 0.0427 0.9623 0.9784
Echinococcus multilocularis histone deacetylase 7 0.0435 0.9835 0.9835
Echinococcus granulosus histone deacetylase 8 0.0196 0.3264 0.3264
Loa Loa (eye worm) histone deacetylase 7A 0.0435 0.9835 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0427 0.9623 1
Schistosoma mansoni histone deacetylase hda2 0.0441 1 1
Echinococcus granulosus histone deacetylase 0.0435 0.9835 0.9835
Brugia malayi Histone deacetylase family protein 0.0435 0.9835 1
Trichomonas vaginalis histone deacetylase, putative 0.0427 0.9623 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5732 0.5732
Echinococcus multilocularis histone deacetylase 1 0.0427 0.9623 0.9623
Loa Loa (eye worm) histone deacetylase 0.0435 0.9835 1
Trichomonas vaginalis histone deacetylase, putative 0.0427 0.9623 1
Toxoplasma gondii histone deacetylase HDAC2 0.0427 0.9623 0.9677
Echinococcus granulosus histone deacetylase 6 0.0435 0.9835 0.9835
Plasmodium falciparum histone deacetylase 2 0.0435 0.9835 1
Trichomonas vaginalis histone deacetylase, putative 0.0427 0.9623 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.3264 0.3319
Trypanosoma brucei histone deacetylase 1 0.0427 0.9623 0.9677
Loa Loa (eye worm) hypothetical protein 0.024 0.4473 0.4548
Trichomonas vaginalis histone deacetylase, putative 0.0427 0.9623 1
Trichomonas vaginalis histone deacetylase, putative 0.0427 0.9623 1
Plasmodium vivax histone deacetylase 2, putative 0.0435 0.9835 1
Echinococcus granulosus histone deacetylase 3 0.0427 0.9623 0.9623
Loa Loa (eye worm) hypothetical protein 0.0286 0.5732 0.5829
Echinococcus multilocularis histone deacetylase 6 0.0441 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0435 0.9835 1
Loa Loa (eye worm) histone deacetylase 3 0.0427 0.9623 0.9784
Echinococcus granulosus histone deacetylase 1 0.0427 0.9623 0.9623
Echinococcus granulosus histone deacetylase 7 0.0435 0.9835 0.9835
Schistosoma mansoni histone deacetylase 1 2 3 0.0196 0.3264 0.3264
Trypanosoma cruzi histone deacetylase 1, putative 0.0427 0.9623 0.9677
Entamoeba histolytica histone deacetylase, putative 0.0427 0.9623 0.5
Brugia malayi histone deacetylase 11 0.0196 0.3264 0.3319
Echinococcus multilocularis histone deacetylase 0.0435 0.9835 0.9835
Brugia malayi hypothetical protein 0.0286 0.5732 0.5829
Toxoplasma gondii histone deacetylase HDAC1 0.0435 0.9835 1
Echinococcus multilocularis histone deacetylase 3 0.0427 0.9623 0.9623
Trypanosoma cruzi histone deacetylase, putative 0.0435 0.9835 1
Loa Loa (eye worm) histone deacetylase 11 0.0196 0.3264 0.3319
Loa Loa (eye worm) hypothetical protein 0.0427 0.9623 0.9784
Onchocerca volvulus Histone deacetylase 10 homolog 0.0196 0.3264 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0435 0.9835 0.9835
Plasmodium falciparum histone deacetylase, putative 0.0435 0.9835 1
Schistosoma mansoni histone deacetylase 0.0427 0.9623 0.9623
Trypanosoma brucei histone deacetylase 4 0.0435 0.9835 1
Trypanosoma brucei histone deacetylase, putative 0.0435 0.9835 1
Trypanosoma brucei histone deacetylase 3 0.0435 0.9835 1
Echinococcus granulosus histone deacetylase 6 0.0435 0.9835 0.9835
Trypanosoma cruzi histone deacetylase, putative 0.0435 0.9835 1
Loa Loa (eye worm) hypothetical protein 0.0246 0.4638 0.4716
Brugia malayi Histone deacetylase 1 0.0427 0.9623 0.9784
Schistosoma mansoni histone deacetylase 4 5 0.0435 0.9835 0.9835
Loa Loa (eye worm) histone deacetylase 1 0.0427 0.9623 0.9784
Brugia malayi histone deacetylase 3 (HD3) 0.0427 0.9623 0.9784
Echinococcus multilocularis histone deacetylase 6 0.0435 0.9835 0.9835
Trypanosoma cruzi histone deacetylase 1, putative 0.0427 0.9623 0.9677
Toxoplasma gondii histone deacetylase HDAC3 0.0427 0.9623 0.9677

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 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) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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