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

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.