Detailed information for compound 557496

Basic information

Technical information
  • TDR Targets ID: 557496
  • Name: N-benzyl-4-chloro-aniline
  • MW: 217.694 | Formula: C13H12ClN
  • H donors: 1 H acceptors: 0 LogP: 4.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NCc1ccccc1
  • InChi: 1S/C13H12ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
  • InChiKey: MMEIYVXPSXIGET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-benzyl-4-chloroaniline
  • 4-chloro-N-(phenylmethyl)aniline
  • benzyl-(4-chlorophenyl)amine
  • 2948-37-0
  • ZINC00040926
  • TimTec1_004782
  • Benzenemethanamine, N-(4-chlorophenyl)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Plasmodium vivax hypothetical protein, conserved 0.0151 0.1162 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0136 0.0136
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0151 0.1162 0.1162
Echinococcus multilocularis muscleblind protein 1 0.0171 0.1319 0.1319
Echinococcus granulosus endonuclease exonuclease phosphatase 0.022 0.1704 0.1704
Brugia malayi Smad1 0.0009 0.0039 0.0039
Leishmania major eukaryotic translation initiation factor-like 0.1269 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0136 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.1319 0.1319
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.0019
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0136 0.0136
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0458 0.0458
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0151 0.1162 0.1162
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0136 0.0136
Trichomonas vaginalis helicase, putative 0.0007 0.0019 0.0019
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0136 0.0136
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0024 0.0024
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0136 0.1171
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0024 0.0024
Echinococcus multilocularis muscleblind protein 0.0171 0.1319 0.1319
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Schistosoma mansoni ap endonuclease 0.0022 0.0136 0.0136
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0136 0.1171
Toxoplasma gondii hypothetical protein 0.0151 0.1162 0.1162
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0171 0.1474
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0151 0.1162 1
Schistosoma mansoni smad 0.0009 0.0039 0.0039
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Plasmodium vivax translation initiation factor 4E, putative 0.0151 0.1162 1
Trichomonas vaginalis hypothetical protein 0.0151 0.1162 0.1162
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.0019
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.0019
Echinococcus multilocularis dnaJ subfamily B 0.0422 0.3303 0.3303
Schistosoma mansoni hypothetical protein 0.0337 0.2628 0.2628
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Brugia malayi MH1 domain containing protein 0.0009 0.0039 0.0039
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.041 0.041
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0151 0.1162 0.1162
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0039 0.0039
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0463 0.0463
Giardia lamblia hypothetical protein 0.0151 0.1162 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0213 0.0213
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0136 0.0136
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0136 1
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.1162 0.1162
Echinococcus multilocularis Smad4 0.0009 0.0039 0.0039
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.1269 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1269 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0929 0.7315 0.7315
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0151 0.1162 0.1162
Brugia malayi MH2 domain containing protein 0.0009 0.0039 0.0039
Echinococcus granulosus dnaJ subfamily B 0.0422 0.3303 0.3303
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0151 0.1162 0.1162
Loa Loa (eye worm) hypothetical protein 0.0183 0.1415 0.1415
Brugia malayi MH1 domain containing protein 0.0009 0.0039 0.0039
Loa Loa (eye worm) MBCTL1 0.0062 0.0458 0.0458
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0136 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0151 0.1162 0.1162
Brugia malayi MH2 domain containing protein 0.0137 0.1048 0.1048
Brugia malayi mbt repeat family protein 0.0055 0.0398 0.0398
Echinococcus granulosus smad 0.0009 0.0039 0.0039
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0171 0.0171
Brugia malayi mbt repeat family protein 0.0055 0.0398 0.0398
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0039 0.0039
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.1269 1 1
Echinococcus granulosus muscleblind protein 0.0171 0.1319 0.1319
Schistosoma mansoni smad1 5 8 and 0.0009 0.0039 0.0039
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0039 0.0039
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0024 0.0024
Loa Loa (eye worm) nuclear factor I 0.0005 0.0006 0.0006
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0024 0.0024
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.1269 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0171 0.0171
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0151 0.1162 0.1162
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0024 0.0024
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0151 0.1162 0.1162
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0039 0.0039
Leishmania major hypothetical protein, conserved 0.0151 0.1162 0.1162
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0151 0.1162 0.1162
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0171 0.1319 0.1319
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0151 0.1162 0.1162
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0458 0.0458
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0398 0.3425
Schistosoma mansoni cpg binding protein 0.003 0.02 0.02
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0151 0.1162 0.1162
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0151 0.1162 0.1162
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.022 0.1704 0.1704
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.1269 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0458 0.0458
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0151 0.1162 0.1162
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0151 0.1162 0.1162
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0151 0.1162 0.1162
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0039 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.1162 0.1162
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0151 0.1162 0.1162
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Brugia malayi MH1 domain containing protein 0.0005 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0006
Onchocerca volvulus 0.003 0.02 0.1721
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0136 0.0136
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0151 0.1162 0.1162
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1269 1 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0039 0.0039
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.1269 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0136 0.0136
Schistosoma mansoni ap endonuclease 0.0022 0.0136 0.0136
Schistosoma mansoni smad1 5 8 and 0.0009 0.0039 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Giardia lamblia Hypothetical protein 0.0151 0.1162 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1269 1 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0038 0.0038
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0039 0.0039
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0398 0.0398
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0136 0.0136
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Loa Loa (eye worm) translation initiation factor 4E 0.1269 1 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0039 0.0039
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0398 0.0398
Brugia malayi Muscleblind-like protein 0.0171 0.1319 0.1319
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Entamoeba histolytica translation initiation factor 4e, putative 0.0151 0.1162 0.1162
Echinococcus granulosus Smad4 0.0009 0.0039 0.0039
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.1048 0.1048
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1269 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0358 0.28 0.28
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0398 0.0398
Brugia malayi hypothetical protein 0.0017 0.0098 0.0098
Giardia lamblia Hypothetical protein 0.0151 0.1162 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0171 0.0171
Trypanosoma brucei C-8 sterol isomerase, putative 0.0358 0.28 0.28
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.0019
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1269 1 1
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0151 0.1162 0.1162
Schistosoma mansoni hypothetical protein 0.0012 0.0058 0.0058
Echinococcus multilocularis smad 0.0009 0.0039 0.0039
Brugia malayi CXXC zinc finger family protein 0.003 0.02 0.02
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0038 0.0038
Leishmania major hypothetical protein, conserved 0.0026 0.0171 0.0171
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0458 0.0458
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0151 0.1162 0.1162
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0458 0.0458
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0398 0.0398
Leishmania major eukaryotic translation initiation factor, putative 0.0151 0.1162 0.1162
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0058 0.0058
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0037 0.0037
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0151 0.1162 0.1162
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0038 0.0038
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.02 0.02
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0171 0.1474
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.1269 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0458 0.0458
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0151 0.1162 0.1162
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.0019
Entamoeba histolytica hypothetical protein 0.0151 0.1162 0.1162
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1269 1 1
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0398 0.0398
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0019 0.0019
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1269 1 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0458 0.0458
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Brugia malayi MH2 domain containing protein 0.0009 0.0039 0.0039
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0136 0.1171
Giardia lamblia Translation elongation factor 0.0151 0.1162 1
Leishmania major eukaryotic translation initiation factor-like protein 0.1269 1 1
Schistosoma mansoni Smad4 0.0009 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0358 0.28 0.28
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0151 0.1162 0.1162
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0136 0.0136
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0136 0.0136
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0058 0.0058
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0171 0.0171
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.1162 0.1162
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0398 0.0398
Schistosoma mansoni cpg binding protein 0.0031 0.0213 0.0213
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0136 1
Schistosoma mansoni cpg binding protein 0.0031 0.0213 0.0213
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0171 0.1474
Entamoeba histolytica hypothetical protein 0.0151 0.1162 0.1162
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0398 0.0398
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0019 0.0019
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0171 0.0171
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0055 0.0398 0.0398
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Echinococcus granulosus cpg binding protein 0.0031 0.0213 0.0213
Brugia malayi hypothetical protein 0.0026 0.0171 0.0171
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0151 0.1162 0.1162
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0398 0.0398
Leishmania major C-8 sterol isomerase-like protein 0.0358 0.28 0.28
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0358 0.28 0.28
Onchocerca volvulus 0.0055 0.0398 0.3425
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0151 0.1162 0.1162
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0019 0.0019
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Leishmania major hypothetical protein, conserved 0.0151 0.1162 0.1162
Toxoplasma gondii exonuclease III APE 0.0022 0.0136 0.0136
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1269 1 1
Schistosoma mansoni hypothetical protein 0.0422 0.3303 0.3303
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0151 0.1162 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.0019
Loa Loa (eye worm) Smad1 0.0009 0.0039 0.0039
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0151 0.1162 0.1162
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0151 0.1162 0.1162
Brugia malayi MH1 domain containing protein 0.0005 0.0006 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.1048 0.1048

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of BCHE in Equus caballus (horse) serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 15 min prior to substrate addition measured every 45 s by colorimetric Ellman's method ChEMBL. No reference
IC50 (binding) > 100 uM Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 15 min prior to substrate addition measured every 45 s by colorimetric Ellman's method ChEMBL. No reference
Inhibition (binding) Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholine iodide as substrate at 10 mg/ml by TLC-B assay 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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