Detailed information for compound 998579

Basic information

Technical information
  • TDR Targets ID: 998579
  • Name: 1-[4-(benzoyl)piperazin-1-yl]-2-(5-bromo-1H-i ndol-3-yl)ethane-1,2-dione
  • MW: 440.29 | Formula: C21H18BrN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)c(c[nH]2)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1
  • InChi: 1S/C21H18BrN3O3/c22-15-6-7-18-16(12-15)17(13-23-18)19(26)21(28)25-10-8-24(9-11-25)20(27)14-4-2-1-3-5-14/h1-7,12-13,23H,8-11H2
  • InChiKey: OLEQTQPSKHWASS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-bromo-1H-indol-3-yl)-2-[4-(oxo-phenylmethyl)-1-piperazinyl]ethane-1,2-dione
  • 1-(5-bromo-1H-indol-3-yl)-2-(4-phenylcarbonylpiperazin-1-yl)ethane-1,2-dione
  • Piperazine, 1-benzoyl-4-[2-(5-bromo-1H-indol-3-yl)-1,2-dioxoethyl]-
  • AIDS-169539
  • AIDS169539

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
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0119 0.6672 0.9527
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.006 0.2621 0.2253
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.006 0.2621 0.3742
Echinococcus granulosus mitogen activated protein kinase 3 0.0106 0.5792 0.8675
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0106 0.5792 0.786
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0119 0.6672 1
Giardia lamblia Kinase, CMGC MAPK 0.0106 0.5792 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.006 0.2621 0.2253
Loa Loa (eye worm) cytochrome P450 family protein 0.0169 1 1
Trichomonas vaginalis CMGC family protein kinase 0.006 0.2621 0.2867
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.1346 0.1922
Schistosoma mansoni serine/threonine protein kinase 0.006 0.2621 0.3898
Toxoplasma gondii cytochrome p450 superfamily protein 0.007 0.3303 0.2153
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.006 0.2621 0.2253
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.006 0.2621 0.3742
Echinococcus multilocularis dna polymerase kappa 0.0041 0.1346 0.1977
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.5792 1
Plasmodium vivax serine/threonine kinase-1, putative 0.006 0.2621 1
Leishmania major cytochrome p450-like protein 0.007 0.3303 0.4717
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0106 0.5792 0.8271
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.007 0.3303 0.3832
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.007 0.3303 0.4951
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.007 0.3303 0.3832
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.007 0.3303 0.4951
Schistosoma mansoni cytochrome P450 0.007 0.3303 0.4926
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Brugia malayi bHLH-PAS transcription factor 0.0036 0.1005 0.0975
Brugia malayi Protein kinase domain containing protein 0.006 0.2621 0.2596
Plasmodium falciparum protein serine/threonine kinase-1 0.006 0.2621 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0106 0.5792 0.786
Brugia malayi PAS domain containing protein 0.0048 0.1856 0.1829
Leishmania major protein kinase, putative 0.006 0.2621 0.3742
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Schistosoma mansoni single-minded 0.0048 0.1856 0.2746
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.007 0.3303 0.3832
Loa Loa (eye worm) hypothetical protein 0.0055 0.2282 0.2256
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.007 0.3303 0.4951
Schistosoma mansoni hypothetical protein 0.007 0.3303 0.4926
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.007 0.3303 0.4951
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.007 0.3303 0.4951
Trypanosoma brucei protein kinase, putative 0.0106 0.5792 0.8271
Trypanosoma cruzi cytochrome P450, putative 0.0124 0.7003 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.2525 0.2501
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.5792 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0119 0.6672 0.6661
Brugia malayi hypoxia-induced factor 1 0.015 0.8716 0.8712
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.5792 0.8675
Echinococcus granulosus dual specificity protein kinase clk2 0.006 0.2621 0.3898
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.007 0.3303 0.3832
Brugia malayi hypothetical protein 0.0162 0.9567 0.9566
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.1856 0.2746
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.007 0.3303 0.4951
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.007 0.3303 0.3832
Brugia malayi cytochrome P450 0.007 0.3303 0.3281
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.2645 0.3935
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0119 0.6672 1
Echinococcus multilocularis mitogen activated protein kinase 0.0106 0.5792 0.8675
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.1346 0.0568
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.007 0.3303 0.4951
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.007 0.3303 0.4951
Leishmania major cytochrome p450-like protein 0.0124 0.7003 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.007 0.3303 0.3832
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.007 0.3303 0.3832
Loa Loa (eye worm) cytochrome P450 family protein 0.0124 0.7003 0.6993
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0902 0.1288
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.007 0.3303 0.4951
Loa Loa (eye worm) CMGC/CLK protein kinase 0.006 0.2621 0.2596
Loa Loa (eye worm) cytochrome P450 family protein 0.0124 0.7003 0.6993
Brugia malayi MAP kinase sur-1 0.0106 0.5792 0.5779
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0119 0.6672 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0106 0.5792 0.786
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0106 0.5792 1
Onchocerca volvulus 0.0036 0.1005 1
Schistosoma mansoni serine/threonine protein kinase 0.006 0.2621 0.3898
Brugia malayi Cytochrome P450 family protein 0.007 0.3303 0.3281
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.007 0.3303 0.346
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.007 0.3303 0.3832
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.007 0.3303 0.346
Schistosoma mansoni lipoxygenase 0.006 0.2645 0.3935
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Echinococcus multilocularis 0.007 0.3303 0.4926
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.007 0.3303 0.4951
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.006 0.2621 0.2253
Echinococcus multilocularis dual specificity protein kinase clk2 0.006 0.2621 0.3898
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.007 0.3303 0.4951
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.007 0.3303 0.3832
Trypanosoma brucei unspecified product 0.0034 0.0902 0.1288
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.007 0.3303 0.4951
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.007 0.3303 0.4717
Leishmania major lanosterol 14-alpha-demethylase, putative 0.007 0.3303 0.4717
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.5792 1
Echinococcus granulosus hypothetical protein 0.0058 0.2525 0.3754
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0106 0.5792 0.5779
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.007 0.3303 0.4951
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.5792 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.015 0.8716 0.8712
Trypanosoma cruzi cytochrome P450, putative 0.0124 0.7003 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.007 0.3303 0.3832
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.007 0.3303 0.3832
Loa Loa (eye worm) cytochrome P450 0.007 0.3303 0.3281
Echinococcus multilocularis mitogen activated protein kinase 3 0.0106 0.5792 0.8675
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.007 0.3303 0.4951
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.007 0.3303 0.4951
Leishmania major cytochrome p450-like protein 0.007 0.3303 0.4717
Echinococcus granulosus mitogen activated protein kinase 0.0106 0.5792 0.8675
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.007 0.3303 0.4951
Echinococcus granulosus dna polymerase kappa 0.0041 0.1346 0.1977
Mycobacterium leprae putative cytochrome p450 0.007 0.3303 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0124 0.7003 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.007 0.3303 0.3832
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0106 0.5792 0.786
Echinococcus multilocularis 0.0058 0.2525 0.3754
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0674 0.0962
Loa Loa (eye worm) hypothetical protein 0.0031 0.0674 0.0643
Giardia lamblia Kinase, CMGC CLK 0.006 0.2621 0.4524
Mycobacterium leprae Conserved hypothetical protein 0.007 0.3303 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.007 0.3303 0.3832
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0674 0.0962
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0106 0.5792 0.8271
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0111 0.6127 0.6115
Brugia malayi Cytochrome P450 family protein 0.0124 0.7003 0.6993
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.007 0.3303 0.4951
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.007 0.3303 0.3832
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0106 0.5792 0.8271
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.007 0.3303 0.4951
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.1346 0.1922
Loa Loa (eye worm) CYP4Cod1 0.0124 0.7003 0.6993
Brugia malayi polk-prov protein 0.0031 0.0674 0.0643
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.007 0.3303 0.4951
Leishmania major protein kinase, putative 0.006 0.2621 0.3742
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0119 0.6672 0.9448
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.2645 0.3935
Echinococcus granulosus single minded 2 0.0036 0.1005 0.1464
Trypanosoma cruzi cytochrome p450-like protein, putative 0.007 0.3303 0.346
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.007 0.3303 0.3832
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.007 0.3303 0.3832
Loa Loa (eye worm) hypothetical protein 0.0162 0.9567 0.9566
Trypanosoma brucei cytochrome P450, putative 0.0124 0.7003 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0119 0.6672 0.9448
Echinococcus granulosus cytochrome P450 2K1 0.007 0.3303 0.4926
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.007 0.3303 0.3832
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.007 0.3303 0.4951
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0119 0.6672 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.007 0.3303 0.3832
Brugia malayi Cytochrome P450 family protein 0.0124 0.7003 0.6993
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.1346 0.1922
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.1005 0.1464
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.007 0.3303 0.3832
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.007 0.3303 0.3832
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.1346 0.0568

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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