Detailed information for compound 727492

Basic information

Technical information
  • TDR Targets ID: 727492
  • Name: 1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
  • MW: 240.297 | Formula: C16H16O2
  • H donors: 0 H acceptors: 1 LogP: 3.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1COc1cccc(c1)C(=O)C
  • InChi: 1S/C16H16O2/c1-12-6-3-4-7-15(12)11-18-16-9-5-8-14(10-16)13(2)17/h3-10H,11H2,1-2H3
  • InChiKey: WZSJGWMHLKFHCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3-(2-methylbenzyl)oxyphenyl]ethanone
  • AF-399/32358052
  • T0400-3989
  • ZINC00240504

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
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0222 0.2141 1
Echinococcus multilocularis caspase 0.0196 0.1784 0.2175
Mycobacterium tuberculosis Conserved protein 0.0072 0.0116 0.0543
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0072 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0328 0.3565 0.2729
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0419 0.4787 0.4787
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0641 0.7785 0.7497
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0064 0 0.5
Echinococcus granulosus hexokinase type 2 0.0481 0.5626 0.7185
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0641 0.7785 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0641 0.7785 0.7497
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0278 0.2895 0.3623
Loa Loa (eye worm) hexokinase 0.0302 0.321 0.2329
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0665 0.8114 0.8092
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Toxoplasma gondii hexokinase 0.0481 0.5626 0.2522
Loa Loa (eye worm) MH2 domain-containing protein 0.0233 0.2279 0.1276
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0641 0.7785 0.7525
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0641 0.7785 1
Leishmania major hypothetical protein, conserved 0.0627 0.7592 0.9749
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Brugia malayi Hexokinase family protein 0.0481 0.5626 0.5058
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0641 0.7785 1
Echinococcus granulosus hexokinase 0.0481 0.5626 0.7185
Onchocerca volvulus 0.0481 0.5626 1
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0278 0.2895 0.3623
Trypanosoma brucei hypothetical protein, conserved 0.0627 0.7592 0.9753
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Onchocerca volvulus 0.0481 0.5626 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0665 0.8114 1
Loa Loa (eye worm) glutaminase 2 0.0805 1 1
Entamoeba histolytica hexokinase 2 0.0481 0.5626 1
Onchocerca volvulus Hexokinase homolog 0.0302 0.321 0.1156
Trichomonas vaginalis CAMK family protein kinase 0.0138 0.1 0.0895
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0072 0.0116 0.0116
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0278 0.2895 0.1972
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0641 0.7785 1
Entamoeba histolytica hexokinase 1 0.0481 0.5626 1
Schistosoma mansoni glutaminase 0.0805 1 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0641 0.7785 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0665 0.8114 1
Echinococcus granulosus hexokinase 0.0481 0.5626 0.7185
Mycobacterium ulcerans glutaminase 0.0805 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0233 0.2279 0.1276
Schistosoma mansoni hexokinase 0.0481 0.5626 0.5113
Trypanosoma brucei hexokinase 0.0481 0.5626 0.7227
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0132 0.0928 0.4336
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0665 0.8114 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0665 0.8114 0.8092
Leishmania major hexokinase, putative 0.0481 0.5626 0.7185
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0641 0.7785 0.5
Loa Loa (eye worm) hexokinase 0.0481 0.5626 0.5058
Brugia malayi hexokinase type II 0.0153 0.1204 0.0062
Schistosoma mansoni caspase-7 (C14 family) 0.0196 0.1784 0.082
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0212 0.2007 0.2465
Trichomonas vaginalis CAMK family protein kinase 0.0138 0.1 0.0895
Echinococcus multilocularis hexokinase type 2 0.0481 0.5626 0.7185
Brugia malayi hexokinase 0.0481 0.5626 0.5058
Trypanosoma cruzi polo-like protein kinase, putative 0.0278 0.2895 0.3623
Echinococcus granulosus hexokinase 0.0481 0.5626 0.7185
Trypanosoma cruzi hypothetical protein, conserved 0.0627 0.7592 0.9749
Loa Loa (eye worm) hypothetical protein 0.0153 0.1204 0.0062
Loa Loa (eye worm) hexokinase type II 0.0481 0.5626 0.5058
Trypanosoma cruzi polo-like protein kinase, putative 0.0278 0.2895 0.3623
Echinococcus granulosus caspase 0.0196 0.1784 0.2175
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0641 0.7785 1
Leishmania major hexokinase, putative 0.0481 0.5626 0.7185
Trypanosoma cruzi hypothetical protein, conserved 0.0627 0.7592 0.9749
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0206 0.1924 0.2357
Trypanosoma brucei polo-like protein kinase 0.0278 0.2895 0.3719
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0072 0.0116 0.0116
Echinococcus multilocularis hexokinase 0.0481 0.5626 0.7185
Trypanosoma cruzi hexokinase, putative 0.0481 0.5626 0.7185
Schistosoma mansoni caspase-3 (C14 family) 0.0196 0.1784 0.082
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0641 0.7785 0.7785
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Echinococcus multilocularis hexokinase 0.0481 0.5626 0.7185
Echinococcus multilocularis hexokinase 0.0481 0.5626 0.7185
Echinococcus multilocularis caspase 3 0.0143 0.1078 0.1254
Onchocerca volvulus 0.0481 0.5626 1
Loa Loa (eye worm) hexokinase 0.0481 0.5626 0.5058
Loa Loa (eye worm) glutaminase 0.0805 1 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0665 0.8114 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0278 0.2895 0.1972
Trypanosoma brucei hexokinase 0.0481 0.5626 0.7227
Trypanosoma cruzi hexokinase, putative 0.0481 0.5626 0.7185
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0196 0.1784 0.2175
Brugia malayi MH2 domain containing protein 0.0233 0.2279 0.1276
Trichomonas vaginalis CAMK family protein kinase 0.0278 0.2895 0.2811
Mycobacterium ulcerans hypothetical protein 0.0072 0.0116 0.0116
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0278 0.2895 0.3623
Onchocerca volvulus 0.0302 0.321 0.1156
Schistosoma mansoni serine/threonine protein kinase 0.0278 0.2895 0.2061
Brugia malayi Hexokinase family protein 0.0302 0.321 0.2329
Echinococcus granulosus caspase 3 0.0143 0.1078 0.1254
Loa Loa (eye worm) hypothetical protein 0.0153 0.1204 0.0062
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0132 0.0928 0.0928
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0196 0.1784 0.2175
Trichomonas vaginalis glutaminase, putative 0.0805 1 1
Mycobacterium ulcerans hypothetical protein 0.0072 0.0116 0.0116
Trypanosoma brucei hexokinase, putative 0.0481 0.5626 0.7227
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0665 0.8114 0.8092
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0072 0.0116 0.0543

Activities

No activities found for this compound.

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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