Detailed information for compound 670911

Basic information

Technical information
  • TDR Targets ID: 670911
  • Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-(3, 4-dimethylphenyl)piperazine
  • MW: 469.393 | Formula: C20H25BrN2O4S
  • H donors: 0 H acceptors: 2 LogP: 4.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(Br)c(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)C)C
  • InChi: 1S/C20H25BrN2O4S/c1-14-5-6-16(11-15(14)2)22-7-9-23(10-8-22)28(24,25)20-13-19(27-4)18(26-3)12-17(20)21/h5-6,11-13H,7-10H2,1-4H3
  • InChiKey: XEMPDDWODAYBIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
  • ST5325257
  • ZINC00944422
  • Oprea1_005717
  • Oprea1_418542

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 granulosus survival motor neuron protein 1 0.0229 0.1483 0.2777
Loa Loa (eye worm) follicle stimulating hormone receptor 0.023 0.1486 0.9836
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.0927 0.6137
Echinococcus multilocularis tumor protein p63 0.0328 0.2288 0.4392
Entamoeba histolytica fatty acid elongase, putative 0.0165 0.0957 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0278 0.1877 0.1103
Entamoeba histolytica fatty acid elongase, putative 0.0165 0.0957 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1272 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0741 0.3643
Brugia malayi hypothetical protein 0.0229 0.1483 0.98
Echinococcus multilocularis dual specificity protein kinase clk2 0.0062 0.0115 0.003
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0115 0.049
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0062 0.0115 0.0764
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.2003 1
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.2003 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0233 0.1511 0.2833
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0161 0.0927 1
Schistosoma mansoni microtubule-associated protein tau 0.067 0.5081 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1272 1 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0115 0.049
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.0927 0.6137
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0115 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1272 1 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0233 0.1511 1
Echinococcus granulosus tumor protein p63 0.0328 0.2288 0.4392
Loa Loa (eye worm) hypothetical protein 0.0229 0.1483 0.9816
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0233 0.1511 1
Brugia malayi follicle stimulating hormone receptor 0.023 0.1486 0.9823
Giardia lamblia Kinase, CMGC CLK 0.0062 0.0115 0.5
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1272 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.069 0.4565
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0115 0.0227
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.069 0.4565
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1272 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0115 0.049
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.2003 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.2003 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0741 0.3316
Brugia malayi Protein kinase domain containing protein 0.0169 0.0993 0.6286
Mycobacterium tuberculosis Probable oxidoreductase 0.0278 0.1877 0.1103
Schistosoma mansoni serine/threonine protein kinase 0.0233 0.1511 0.2974
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0161 0.0927 0.1661
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.0993 0.1954
Echinococcus granulosus dual specificity protein kinase clk2 0.0062 0.0115 0.003
Entamoeba histolytica fatty acid elongase, putative 0.0165 0.0957 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0741 0.3316
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0161 0.0927 0.5818
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0115 0.0227
Echinococcus granulosus c-Jun N-terminal kinases 0.0233 0.1511 0.2833
Entamoeba histolytica fatty acid elongase, putative 0.0165 0.0957 0.5
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0062 0.0115 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1272 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1483 0.2777
Brugia malayi Protein kinase domain containing protein 0.0161 0.0927 0.5818
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0161 0.0927 0.1661
Schistosoma mansoni serine/threonine protein kinase 0.0161 0.0927 0.1825
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1272 1 1
Echinococcus multilocularis microtubule associated protein 2 0.067 0.5081 1
Entamoeba histolytica fatty acid elongase, putative 0.0165 0.0957 0.5
Brugia malayi MH2 domain containing protein 0.0132 0.069 0.4116
Echinococcus granulosus microtubule associated protein 2 0.067 0.5081 1
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0169 0.0993 0.657
Loa Loa (eye worm) hypothetical protein 0.006 0.01 0.0664
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0115 0.049

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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