Detailed information for compound 727582

Basic information

Technical information
  • TDR Targets ID: 727582
  • Name: N-[(3-bromo-4-methoxyphenyl)methylideneamino] -2,3-dihydro-1,4-benzodioxine-2-carboxamide
  • MW: 391.216 | Formula: C17H15BrN2O4
  • H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Br)C=NNC(=O)C1COc2c(O1)cccc2
  • InChi: 1S/C17H15BrN2O4/c1-22-13-7-6-11(8-12(13)18)9-19-20-17(21)16-10-23-14-4-2-3-5-15(14)24-16/h2-9,16H,10H2,1H3,(H,20,21)/b19-9+
  • InChiKey: NOPNEZDLZGPIMM-DJKKODMXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-bromo-4-methoxy-phenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
  • N-[(3-bromo-4-methoxyphenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
  • N-[(3-bromo-4-methoxy-benzylidene)amino]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
  • N-[(3-bromo-4-methoxy-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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
Schistosoma mansoni hypothetical protein 0.0094 0.0235 0.0235
Loa Loa (eye worm) hexokinase 0.1226 0.8694 0.8694
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1035 0.7268 0.1823
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0319 0.192 0.1761
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0992 0.695 0.7994
Echinococcus multilocularis hexokinase 0.1226 0.8694 1
Echinococcus multilocularis hexokinase 0.1226 0.8694 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0485 0.3156 0.3264
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0252 0.0252
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.0191 0.0963 0.1108
Trypanosoma cruzi polo-like protein kinase, putative 0.0485 0.3156 0.3264
Leishmania major hexokinase, putative 0.1226 0.8694 1
Brugia malayi hexokinase type II 0.039 0.2446 0.2446
Brugia malayi MH2 domain containing protein 0.0481 0.3129 0.3129
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0992 0.695 0.7865
Echinococcus granulosus hexokinase 0.1226 0.8694 1
Schistosoma mansoni caspase-3 (C14 family) 0.0201 0.1036 0.1036
Toxoplasma gondii hexokinase 0.1226 0.8694 1
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0096 0.0252 0.029
Trypanosoma cruzi hexokinase, putative 0.1226 0.8694 1
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0078 0.0078
Echinococcus granulosus caspase 3 0.0147 0.0634 0.073
Trichomonas vaginalis CAMK family protein kinase 0.0285 0.1663 0.125
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1035 0.7268 0.7133
Mycobacterium ulcerans lipoprotein LpqF 0.0133 0.0528 0.0058
Brugia malayi Protein kinase domain containing protein 0.0285 0.1663 0.1663
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1035 0.7268 0.6696
Trypanosoma cruzi hypothetical protein, conserved 0.109 0.7679 0.8765
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0252 0.0252
Echinococcus granulosus hexokinase 0.1226 0.8694 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0344 0.2107 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0992 0.695 0.695
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0133 0.0528 0.0341
Brugia malayi Hexokinase family protein 0.1226 0.8694 0.8694
Schistosoma mansoni serine/threonine kinase 0.0285 0.1663 0.1663
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0485 0.3156 0.3156
Loa Loa (eye worm) MH2 domain-containing protein 0.0481 0.3129 0.3129
Schistosoma mansoni caspase-7 (C14 family) 0.0201 0.1036 0.1036
Echinococcus multilocularis hexokinase 0.1226 0.8694 1
Echinococcus multilocularis calcium activated potassium channel 0.0096 0.0252 0.029
Echinococcus granulosus calcium activated potassium channel 0.0096 0.0252 0.029
Loa Loa (eye worm) hypothetical protein 0.039 0.2446 0.2446
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1035 0.7268 0.7133
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0992 0.695 0.7879
Schistosoma mansoni hypothetical protein 0.0073 0.0078 0.0078
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0201 0.1036 0.1192
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0992 0.695 0.695
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0201 0.1036 0.1192
Trypanosoma brucei hexokinase 0.1226 0.8694 1
Brugia malayi Hexokinase family protein 0.0769 0.5281 0.5281
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Brugia malayi Kinase associated domain 1 family protein 0.0094 0.0235 0.0235
Echinococcus granulosus caspase 0.0201 0.1036 0.1192
Echinococcus granulosus hexokinase 0.1226 0.8694 1
Trypanosoma brucei hypothetical protein, conserved 0.109 0.7679 0.8757
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1035 0.7268 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0992 0.695 0.695
Loa Loa (eye worm) hexokinase type II 0.1226 0.8694 0.8694
Trichomonas vaginalis glutaminase, putative 0.14 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0485 0.3156 0.363
Trypanosoma cruzi hexokinase, putative 0.1226 0.8694 1
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0096 0.0252 0.029
Onchocerca volvulus 0.1226 0.8694 1
Leishmania major hypothetical protein, conserved 0.109 0.7679 0.8765
Trypanosoma cruzi polo-like protein kinase, putative 0.0485 0.3156 0.3264
Leishmania major hexokinase, putative 0.1226 0.8694 1
Loa Loa (eye worm) hexokinase 0.0379 0.2368 0.2368
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.0191 0.0963 0.1108
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0285 0.1663 0.1663
Loa Loa (eye worm) glutaminase 2 0.14 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0648 0.4378 0.4099
Trichomonas vaginalis CAMK family protein kinase 0.024 0.133 0.09
Echinococcus multilocularis caspase 0.0201 0.1036 0.1192
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0078 0.0089
Plasmodium vivax hexokinase, putative 0.1226 0.8694 1
Loa Loa (eye worm) hypothetical protein 0.0836 0.5782 0.5782
Onchocerca volvulus 0.1226 0.8694 1
Onchocerca volvulus 0.1226 0.8694 1
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.0963 0.0515
Trypanosoma brucei hexokinase, putative 0.1226 0.8694 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1035 0.7268 0.7133
Brugia malayi Hexokinase family protein 0.0379 0.2368 0.2368
Entamoeba histolytica serine/threonine protein kinase, putative 0.0485 0.3156 0.3573
Loa Loa (eye worm) hypothetical protein 0.0094 0.0235 0.0235
Loa Loa (eye worm) hexokinase 0.1226 0.8694 0.8694
Echinococcus granulosus hexokinase type 2 0.1226 0.8694 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0329 0.1992 0.1848
Trypanosoma cruzi hypothetical protein, conserved 0.109 0.7679 0.8765
Schistosoma mansoni hexokinase 0.1226 0.8694 0.8694
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.0963 0.0515
Loa Loa (eye worm) hexokinase 0.0769 0.5281 0.5281
Echinococcus multilocularis hypothetical protein 0.0094 0.0235 0.027
Loa Loa (eye worm) glutaminase 0.14 1 1
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0096 0.0252 0.029
Trichomonas vaginalis CAMK family protein kinase 0.024 0.133 0.09
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0277 0.1604 0.6926
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0992 0.695 0.7994
Mycobacterium ulcerans glutaminase 0.14 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0252 0.0252
Schistosoma mansoni hypothetical protein 0.0094 0.0235 0.0235
Onchocerca volvulus 0.0769 0.5281 0.3837
Trypanosoma brucei hexokinase 0.1226 0.8694 1
Trypanosoma brucei polo-like protein kinase 0.0485 0.3156 0.3218
Brugia malayi hypothetical protein 0.0073 0.0078 0.0078
Plasmodium falciparum hexokinase 0.1226 0.8694 1
Schistosoma mansoni kinase 0.0247 0.1377 0.1377
Echinococcus multilocularis citrate lyase subunit beta protein 0.0126 0.0472 0.0543
Schistosoma mansoni glutaminase 0.14 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0252 0.0252
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0992 0.695 0.6799
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0252 0.0252
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0992 0.695 0.5
Loa Loa (eye worm) hypothetical protein 0.039 0.2446 0.2446
Brugia malayi hexokinase 0.1226 0.8694 0.8694
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0992 0.695 0.7879
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0096 0.0252 0.029
Echinococcus multilocularis hexokinase type 2 0.1226 0.8694 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0133 0.0528 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0485 0.3156 0.2817
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0277 0.1604 0.1188
Brugia malayi serine/threonine-protein kinase plk-2 0.0485 0.3156 0.3156
Entamoeba histolytica hexokinase 1 0.1226 0.8694 1
Treponema pallidum hexokinase (hxk) 0.1226 0.8694 1
Entamoeba histolytica hexokinase 2 0.1226 0.8694 1
Onchocerca volvulus Hexokinase homolog 0.0769 0.5281 0.3837
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0485 0.3156 0.363
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0078 0.0089
Loa Loa (eye worm) transcription factor SMAD2 0.0481 0.3129 0.3129
Echinococcus granulosus citrate lyase subunit beta protein 0.0126 0.0472 0.0543
Schistosoma mansoni serine/threonine protein kinase 0.0485 0.3156 0.3156
Echinococcus multilocularis caspase 3 0.0147 0.0634 0.073

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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