Detailed information for compound 563572

Basic information

Technical information
  • TDR Targets ID: 563572
  • Name: [2,2-dibromo-1-(2,4-dichlorophenyl)vinyl] die thyl phosphate
  • MW: 482.917 | Formula: C12H13Br2Cl2O4P
  • H donors: 0 H acceptors: 1 LogP: 5.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(OC(=C(Br)Br)c1ccc(cc1Cl)Cl)OCC
  • InChi: 1S/C12H13Br2Cl2O4P/c1-3-18-21(17,19-4-2)20-11(12(13)14)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3
  • InChiKey: CKESMWXQXWZWKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • phosphoric acid [2,2-dibromo-1-(2,4-dichlorophenyl)vinyl] diethyl ester
  • [2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
  • IPO-597
  • 42136-31-2
  • IPO 597
  • Phosphoric acid, 2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl ester
  • BRN 2339644

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
Echinococcus multilocularis cpg binding protein 0.003 0.0648 0.0578
Echinococcus multilocularis dnaJ subfamily B 0.0408 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0388 0.0316
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0388 0.173
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0791 1
Mycobacterium tuberculosis 4-diphosphocytidyl-2C-methyl-D-erythritol synthase IspD (MEP cytidylyltransferase) (MCT) 0.0153 0.368 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0231 0.2347
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0791 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0148 0.0066
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0791 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0388 0.0717
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.3922 0.3876
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0791 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0000000027566
Schistosoma mansoni alpha-glucosidase 0.014 0.3362 0.3362
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0791 0.1776
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0791 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0791 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0231 0.2347
Wolbachia endosymbiont of Brugia malayi 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase 0.0068 0.158 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0388 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0791 1
Toxoplasma gondii hypothetical protein 0.0068 0.158 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0388 0.0388
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0231 0.2347
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0388 0.373
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0231 0.1418
Trypanosoma brucei glucosidase, putative 0.0036 0.0791 1
Onchocerca volvulus 0.0029 0.0608 0.1889
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0231 0.2347
Chlamydia trachomatis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase 0.0221 0.5362 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0388 0.0316
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0000000027566
Loa Loa (eye worm) hypothetical protein 0.002 0.0388 0.071
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0148 0.0148
Plasmodium vivax 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, putative 0.0068 0.158 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.3922 0.3876
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.3922 0.3876
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0000000027566
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.1288
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0000000027566
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0791 1
Entamoeba histolytica recQ family helicase, putative 0.002 0.0388 0.3821
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0148 0.0066
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0791 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0148 0.0079
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.3922 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0791 1
Loa Loa (eye worm) RecQ helicase 0.002 0.0388 0.071
Schistosoma mansoni hypothetical protein 0.0408 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0388 0.2801
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0000000027566
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0231 0.2347
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1403 0.1403
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0231 0.1291
Mycobacterium leprae Probable 4-diphosphocytidyl-2C-methyl-D-erythritol synthase IspD (2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase) (MEP 0.0221 0.5362 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0059 0.0000000027566
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.3922 1
Echinococcus granulosus bloom syndrome protein 0.002 0.0388 0.0316
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0791 1
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0138 0.0138
Schistosoma mansoni DNA helicase recq1 0.002 0.0388 0.0388
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0388 0.071
Onchocerca volvulus 0.0094 0.2225 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0791 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0388 0.2801
Echinococcus multilocularis bloom syndrome protein 0.002 0.0388 0.0316
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0388 0.0717
Treponema pallidum hypothetical protein 0.0068 0.158 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0059 0.0000000027566
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0388 0.0316
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0231 0.2347
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0388 0.0316
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0388 0.173
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0388 0.0717
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0231 0.1291
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0791 0.177
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0791 0.0722
Entamoeba histolytica recQ family DNA helicase 0.001 0.0148 0.0145
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0231 0.2347
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0791 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.1294
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0000000027566
Schistosoma mansoni alpha-glucosidase 0.014 0.3362 0.3362
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0231 0.0304
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1242 0.7655
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0388 0.449
Loa Loa (eye worm) hypothetical protein 0.001 0.0148 0.0079
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0791 0.4528
Schistosoma mansoni alpha glucosidase 0.0036 0.0791 0.0791
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0388 0.449
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0791 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0791 0.0722
Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, putative 0.0068 0.158 1
Mycobacterium ulcerans 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase 0.0221 0.5362 0.5
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0388 0.449
Loa Loa (eye worm) hypothetical protein 0.0013 0.0231 0.0297
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0231 0.2347
Echinococcus granulosus cpg binding protein 0.003 0.0648 0.0578

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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