Detailed information for compound 656353

Basic information

Technical information
  • TDR Targets ID: 656353
  • Name: 5-[2-(4-bromophenyl)-2-oxoethyl]-2-methyl-[1, 2,4]triazino[3,2-b]benzimidazol-3-one
  • MW: 397.225 | Formula: C18H13BrN4O2
  • H donors: 0 H acceptors: 2 LogP: 2.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)Cn1c2nc(=O)c(nn2c2c1cccc2)C
  • InChi: 1S/C18H13BrN4O2/c1-11-17(25)20-18-22(10-16(24)12-6-8-13(19)9-7-12)14-4-2-3-5-15(14)23(18)21-11/h2-9H,10H2,1H3
  • InChiKey: OAIVGBJLZOIDJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[2-(4-bromophenyl)-2-oxo-ethyl]-2-methyl-[1,2,4]triazino[3,2-b]benzimidazol-3-one
  • 5-[2-(4-bromophenyl)-2-keto-ethyl]-2-methyl-[1,2,4]triazino[3,2-b]benzimidazol-3-one
  • ZINC00972745
  • T0509-0503
  • Oprea1_473723
  • AG-690/15444552
  • Oprea1_435242
  • ChemDiv1_022270

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 inositol monophosphatase 0.0037 0.1427 0.2445
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.1427 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.8348 0.8348
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 0.0192
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1427 0.6924
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0714 0.137
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0092 0.5834 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.5043 0.5043
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 1
Leishmania major DNA polymerase eta, putative 0.0045 0.206 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.1427 0.2789
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0027 0.0054
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.5043 0.5186
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.2768 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1349 0.2312
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0027 0.0027
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1113 0.0922
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0714 0.137
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0027 0.0033
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 1
Echinococcus granulosus dna polymerase eta 0.0045 0.206 0.4085
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.1427 1
Entamoeba histolytica hypothetical protein 0.0036 0.1349 0.9457
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 0.5
Loa Loa (eye worm) hypothetical protein 0.0095 0.611 0.611
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 0.0192
Brugia malayi Probable ClpP-like protease 0.0082 0.5043 0.6041
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.2768 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0131 0.8973 0.8973
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.1427 0.1467
Brugia malayi hypothetical protein 0.0036 0.1349 0.1616
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1113 0.4023
Schistosoma mansoni DNA polymerase eta 0.0045 0.206 0.3531
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.5043 1
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.2768 0.5488
Loa Loa (eye worm) inositol-1 0.0037 0.1427 0.1427
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0984 0.4775
Leishmania major DNA polymerase eta, putative 0.0032 0.0984 0.4775
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.5043 0.8644
Loa Loa (eye worm) hypothetical protein 0.0123 0.8348 0.8348
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1427 0.6924
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0027 0.0054
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0027 0.0133
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.5043 1
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0047
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1427 1
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.1427 0.2829
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.206 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.206 1
Echinococcus multilocularis dna polymerase eta 0.0045 0.206 0.2119
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0047
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0027 0.0028
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.2768 0.4744
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0027 0.0099
Brugia malayi Inositol-1 0.0037 0.1427 0.1709
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1349 0.1387
Toxoplasma gondii hypothetical protein 0.0028 0.0714 0.137
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.5043 1
Entamoeba histolytica hypothetical protein 0.0036 0.1349 0.9457
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0027 0.0133
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1349 0.2675
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1427 0.6924
Schistosoma mansoni inositol monophosphatase 0.0037 0.1427 0.2445
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1427 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.5043 1
Entamoeba histolytica hypothetical protein 0.0036 0.1349 0.9457
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0984 0.1907
Schistosoma mansoni hypothetical protein 0.0036 0.1349 0.2312
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0027 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.5043 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0027 0.0133
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.1427 0.2829
Onchocerca volvulus Huntingtin homolog 0.0123 0.8348 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.2768 0.2846
Brugia malayi hypothetical protein 0.0123 0.8348 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.1427 0.2789
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0714 0.137
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0027 0.0192
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0027 0.0133
Onchocerca volvulus Huntingtin homolog 0.0123 0.8348 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.206 0.2468
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1427 0.6924
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.5043 1
Entamoeba histolytica hypothetical protein 0.0036 0.1349 0.9457
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.014 0.9725 1

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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