Detailed information for compound 1314123

Basic information

Technical information
  • TDR Targets ID: 1314123
  • Name: N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
  • MW: 271.329 | Formula: C17H18FNO
  • H donors: 1 H acceptors: 1 LogP: 3.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C(NC(=O)c1ccc(cc1)F)C
  • InChi: 1S/C17H18FNO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)
  • InChiKey: PIZGBQDLLWXRBH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(4-ethylphenyl)ethyl]-4-fluoro-benzamide
  • AK-968/40642717
  • IVK/9144514
  • MLS000538159
  • SMR000159705

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein 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 Intermediate filament protein ifa-1, putative 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 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
Loa Loa (eye worm) hypothetical 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Echinococcus granulosus cytoplasmic intermediate filament protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0022 0.0087 0.0087
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0022 0.0087 0.5
Mycobacterium tuberculosis Probable two component sensor kinase 0.0022 0.0087 0.5
Trichomonas vaginalis receptor histidine kinase, putative 0.0022 0.0087 0.5
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0022 0.0087 0.5
Onchocerca volvulus 0.0033 0.0352 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0022 0.0087 0.0087
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0022 0.0087 0.5
Brugia malayi Endoplasmin precursor 0.0022 0.0087 0.0087
Onchocerca volvulus 0.0033 0.0352 1
Loa Loa (eye worm) TOPoisomerase family member 0.0022 0.0087 0.0087
Echinococcus granulosus heat shock protein 90 0.0022 0.0087 0.0087
Schistosoma mansoni heat shock protein 0.0022 0.0087 0.0087
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0022 0.0087 0.5
Plasmodium vivax heat shock protein 86, putative 0.0022 0.0087 0.5
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0022 0.0087 0.5
Mycobacterium ulcerans two component regulator - sensor kinase 0.0022 0.0087 0.5
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0022 0.0087 0.5
Entamoeba histolytica heat shock protein 90, putative 0.0022 0.0087 0.5
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0141 0.3173 0.3113
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0022 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0352 0.0352
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0141 0.3173 0.3113
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0022 0.0087 0.5
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0087 0.5
Chlamydia trachomatis DNA gyrase subunit B 0.0022 0.0087 0.5
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0022 0.0087 0.0087
Brugia malayi heat shock protein 90 0.0022 0.0087 0.0087
Mycobacterium ulcerans putative regultory protein 0.0022 0.0087 0.5
Schistosoma mansoni endoplasmin 0.0022 0.0087 0.0087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1073 0.1073
Schistosoma mansoni pyruvate dehydrogenase 0.038 0.9416 0.9416
Trichomonas vaginalis DNA topoisomerase II, putative 0.0022 0.0087 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0022 0.0087 0.5
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0022 0.0087 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0022 0.0087 0.5
Mycobacterium ulcerans DNA gyrase subunit B 0.0022 0.0087 0.5
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0022 0.0087 0.5
Echinococcus multilocularis heat shock protein 90 0.0022 0.0087 0.0087
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0022 0.0087 0.5
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0022 0.0087 0.5
Mycobacterium leprae Probable two-component sensor kinase 0.0022 0.0087 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1073 0.1073
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0022 0.0087 0.5
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0022 0.0087 0.5
Giardia lamblia Pms1-like protein 0.0022 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0337 0.0337
Trichomonas vaginalis heat shock protein, putative 0.0022 0.0087 0.5
Schistosoma mansoni endoplasmin 0.0022 0.0087 0.0087
Entamoeba histolytica DNA topoisomerase II, putative 0.0022 0.0087 0.5
Plasmodium vivax DNA gyrase subunit B, putative 0.0022 0.0087 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0352 0.0352
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0022 0.0087 0.5
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0022 0.0087 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0352 0.0352
Plasmodium vivax endoplasmin, putative 0.0022 0.0087 0.5
Mycobacterium ulcerans two component sensor kinase MprB 0.0022 0.0087 0.5
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0022 0.0087 0.5
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0022 0.0087 0.5
Echinococcus granulosus heat shock protein 0.0022 0.0087 0.0087
Schistosoma mansoni lamin 0.0033 0.0352 0.0352
Trichomonas vaginalis sensor histidine kinase, putative 0.0022 0.0087 0.5
Echinococcus multilocularis lamin 0.0033 0.0352 0.0352
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0022 0.0087 0.0087
Loa Loa (eye worm) endoplasmin 0.0022 0.0087 0.0087
Trichomonas vaginalis heat shock protein, putative 0.0022 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0087 0.0087
Mycobacterium leprae Probable two component sensor kinase MprB 0.0022 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0576 0.0576
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0163 0.3757 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0022 0.0087 0.5
Brugia malayi intermediate filament protein 0.0033 0.0352 0.0352
Entamoeba histolytica heat shock protein 90, putative 0.0022 0.0087 0.5
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0022 0.0087 0.5
Mycobacterium tuberculosis Conserved protein 0.0022 0.0087 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0022 0.0087 0.5
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0022 0.0087 0.5
Trichomonas vaginalis endoplasmin, putative 0.0022 0.0087 0.5
Trichomonas vaginalis receptor histidine kinase, putative 0.0022 0.0087 0.5
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0022 0.0087 0.5
Plasmodium vivax DNA topoisomerase II, putative 0.0022 0.0087 0.5
Schistosoma mansoni heat shock protein 0.0022 0.0087 0.0087
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0022 0.0087 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0576 0.0576
Schistosoma mansoni lamin 0.0033 0.0352 0.0352
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0022 0.0087 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.038 0.9416 0.9416
Echinococcus granulosus lamin dm0 0.0033 0.0352 0.0352
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0022 0.0087 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0022 0.0087 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0576 0.0576
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0022 0.0087 0.5
Giardia lamblia Heat shock protein HSP 90-alpha 0.0022 0.0087 0.5
Mycobacterium tuberculosis Possible two component sensor kinase 0.0022 0.0087 0.5
Echinococcus granulosus lamin 0.0033 0.0352 0.0352
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0022 0.0087 0.0087
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0022 0.0087 0.5
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0141 0.3173 0.3113
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0022 0.0087 0.5
Plasmodium falciparum endoplasmin, putative 0.0022 0.0087 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0352 0.0352
Echinococcus multilocularis musashi 0.0033 0.0352 0.0352
Loa Loa (eye worm) heat shock protein 90 0.0022 0.0087 0.0087
Chlamydia trachomatis DNA gyrase subunit B 0.0022 0.0087 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0352 0.0352
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0352 0.0352
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0022 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1073 0.1073
Echinococcus multilocularis lamin dm0 0.0033 0.0352 0.0352
Echinococcus multilocularis heat shock protein 0.0022 0.0087 0.0087
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0022 0.0087 0.5
Plasmodium falciparum DNA topoisomerase 2 0.0022 0.0087 0.5
Brugia malayi Probable DNA topoisomerase II 0.0022 0.0087 0.0087
Schistosoma mansoni DNA topoisomerase II 0.0022 0.0087 0.0087
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1073 0.1073
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0141 0.3173 0.8409
Plasmodium falciparum heat shock protein 90 0.0022 0.0087 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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