Detailed information for compound 1805038

Basic information

Technical information
  • TDR Targets ID: 1805038
  • Name: 4-ethoxy-N-(phenylmethyl)aniline
  • MW: 227.302 | Formula: C15H17NO
  • H donors: 1 H acceptors: 0 LogP: 3.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NCc1ccccc1
  • InChi: 1S/C15H17NO/c1-2-17-15-10-8-14(9-11-15)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
  • InChiKey: ZAUVBVZMMZMKSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzyl-(4-ethoxyphenyl)amine
  • Oprea1_670173

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
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0115 0.0112
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0115 0.0112
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0016 0.0377 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0115 0.0112
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.0312 0.8284
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0115 0.0112
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0199 0.0199
Schistosoma mansoni hypothetical protein 0.0018 0.0458 0.0458
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0004 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.0312 0.8284
Echinococcus granulosus GPCR family 2 0.0018 0.0458 0.1804
Schistosoma mansoni cpg binding protein 0.0033 0.0938 0.0938
Schistosoma mansoni multidrug resistance protein 0.0016 0.0377 0.0377
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0082 0.2539 1
Schistosoma mansoni glutaminase 0.0312 1 1
Echinococcus multilocularis cpg binding protein 0.0035 0.0998 0.3932
Echinococcus multilocularis multidrug resistance associated protein 4 0.0012 0.026 0.1024
Entamoeba histolytica hypothetical protein 0.0082 0.2539 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0016 0.0377 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0938 0.0938
Brugia malayi Cytochrome P450 family protein 0.0014 0.0312 0.0312
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0004 0 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0014 0.0312 0.0312
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0186 0.0186
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0016 0.0377 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0004 0 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0458 0.0458
Loa Loa (eye worm) multidrug resistance-associated protein 0.0012 0.0264 0.0264
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1136 0.1136
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0115 0.0112
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0004 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0115 0.0112
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0004 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0458 0.1804
Trypanosoma brucei p-glycoprotein 0.0016 0.0377 1
Mycobacterium leprae Conserved hypothetical protein 0.0004 0 0.5
Echinococcus multilocularis multidrug resistance associated protein 7 0.0016 0.0377 0.1484
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0458 0.0458
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0004 0 0.5
Brugia malayi hypothetical protein 0.0082 0.2539 0.2539
Loa Loa (eye worm) hypothetical protein 0.0018 0.0458 0.0458
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0004 0 0.5
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0016 0.0377 0.0377
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0004 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0458 0.1804
Brugia malayi CXXC zinc finger family protein 0.0033 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.0015 0.0373 0.0373
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0016 0.0377 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0138 0.0544
Trypanosoma brucei cytochrome P450, putative 0.0014 0.0312 0.8284
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0082 0.2539 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0016 0.0377 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0312 0.0312
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0203 0.08
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0016 0.0377 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0016 0.0377 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0004 0 0.5
Giardia lamblia MRP-like ABC transporter 0.0016 0.0377 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0458 0.1804
Loa Loa (eye worm) glutaminase 2 0.0312 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.0998 0.0998
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0016 0.0377 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0016 0.0377 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0138 0.0544
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0057 0.1721 0.1721
Echinococcus granulosus multidrug resistance associated protein 7 0.0016 0.0377 0.1484
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0004 0 0.5
Echinococcus granulosus multidrug resistance associated protein 4 0.0012 0.026 0.1024
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Trypanosoma brucei multidrug resistance protein E 0.0016 0.0377 1
Trichomonas vaginalis glutaminase, putative 0.0312 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.0458 0.0458
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0203 0.08
Loa Loa (eye worm) hypothetical protein 0.0016 0.0377 0.0377
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0016 0.0377 0.1994
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0004 0 0.5
Giardia lamblia ABC transporter, putative 0.0016 0.0377 1
Schistosoma mansoni hypothetical protein 0.0018 0.0458 0.0458
Leishmania major ABC-thiol transporter 0.0016 0.0377 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Entamoeba histolytica hypothetical protein 0.0082 0.2539 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1721 0.1721
Onchocerca volvulus 0.0033 0.0938 0.5
Mycobacterium leprae putative cytochrome p450 0.0004 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.0014 0.0312 0.0312
Trichomonas vaginalis helicase, putative 0.0007 0.0115 0.0112
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.213 0.213
Leishmania major p-glycoprotein e 0.0016 0.0377 1
Entamoeba histolytica hypothetical protein 0.0082 0.2539 1
Brugia malayi ABC transporter transmembrane region family protein 0.0016 0.0377 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Echinococcus multilocularis multidrug resistance associated protein 1 0.0016 0.0377 0.1484
Brugia malayi Cytochrome P450 family protein 0.0014 0.0312 0.0312
Loa Loa (eye worm) histone methyltransferase 0.001 0.0203 0.0203
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0004 0 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0998 0.0998
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1721 0.1721
Leishmania major cytochrome p450-like protein 0.0014 0.0312 0.8284
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0004 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0138 0.0544
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0115 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.1889 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0016 0.0377 1
Trypanosoma cruzi hypothetical protein 0.0012 0.026 0.6902
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0458 0.1804
Leishmania major pentamidine resistance protein 1 0.0016 0.0377 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0377 0.0377
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0016 0.0377 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0004 0 0.5
Echinococcus granulosus cpg binding protein 0.0035 0.0998 0.3932
Schistosoma mansoni hypothetical protein 0.0039 0.1136 0.1136
Mycobacterium ulcerans glutaminase 0.0312 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0026 0.0026
Schistosoma mansoni transcription factor LCR-F1 0.0082 0.2539 0.2539
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1721 0.1721
Echinococcus multilocularis GPCR, family 2 0.0018 0.0458 0.1804
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0138 0.0138
Schistosoma mansoni multidrug resistance protein 0.0016 0.0377 0.0377
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0004 0 0.5
Schistosoma mansoni multidrug resistance protein 0.0016 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.0082 0.2539 0.2539
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0115 0.0112
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0312 0.0312
Brugia malayi multidrug resistance related protein 1 0.0016 0.0377 0.0377
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0004 0 0.5
Schistosoma mansoni multidrug resistance protein 0.0016 0.0377 0.0377
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0039 0.1136 0.1136
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0004 0 0.5
Loa Loa (eye worm) glutaminase 0.0312 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0115 0.0112
Entamoeba histolytica hypothetical protein 0.0082 0.2539 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0138 0.0544
Echinococcus granulosus multidrug resistance associated protein 1 0.0016 0.0377 0.1484

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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