Detailed information for compound 900049

Basic information

Technical information
  • TDR Targets ID: 900049
  • Name: 5-bromo-2-(2-chloro-4-methylphenyl)isoindole- 1,3-dione
  • MW: 350.594 | Formula: C15H9BrClNO2
  • H donors: 0 H acceptors: 2 LogP: 4.14 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)Cl)N1C(=O)c2c(C1=O)cc(cc2)Br
  • InChi: 1S/C15H9BrClNO2/c1-8-2-5-13(12(17)6-8)18-14(19)10-4-3-9(16)7-11(10)15(18)20/h2-7H,1H3
  • InChiKey: WQWOBCSHAQGNMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-bromo-2-(2-chloro-4-methyl-phenyl)isoindoline-1,3-dione
  • 5-bromo-2-(2-chloro-4-methylphenyl)isoindoline-1,3-dione
  • 5-bromo-2-(2-chloro-4-methyl-phenyl)isoindoline-1,3-quinone
  • 5-bromo-2-(2-chloro-4-methyl-phenyl)isoindole-1,3-dione
  • EU-0040278
  • ZINC01438061
  • Oprea1_531361
  • A2337/0098641

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
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0617 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0477 0.0384
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0617 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.4055 0.7524
Echinococcus multilocularis GPCR, family 2 0.0047 0.0685 0.0594
Brugia malayi TAR-binding protein 0.0191 0.539 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.2307 0.2232
Leishmania major DNA polymerase eta, putative 0.0032 0.0173 0.2809
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0685 0.0594
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0301 0.0206
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.539 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0685 0.0594
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1131 0.2098
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0096 0.5558
Schistosoma mansoni hypothetical protein 0.0331 1 1
Echinococcus multilocularis tar DNA binding protein 0.0191 0.539 0.5345
Echinococcus granulosus GPCR family 2 0.0047 0.0685 0.0594
Leishmania major DNA polymerase eta, putative 0.0045 0.0617 1
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1653 0.1572
Loa Loa (eye worm) RNA binding protein 0.0191 0.539 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0096 1
Schistosoma mansoni hypothetical protein 0.0036 0.0324 0.023
Schistosoma mansoni hypothetical protein 0.0047 0.0685 0.0594
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0685 0.0594
Onchocerca volvulus Alhambra homolog 0.003 0.0096 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0685 0.0594
Brugia malayi jmjC domain containing protein 0.0036 0.0301 0.0558
Brugia malayi RNA binding protein 0.0191 0.539 1
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0096 0.0179
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.4055 0.7524
Plasmodium falciparum phd finger protein, putative 0.003 0.0096 1
Schistosoma mansoni hypothetical protein 0.0102 0.2495 0.2422
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0685 0.0594
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0324 0.023
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.2307 0.2232
Loa Loa (eye worm) hypothetical protein 0.015 0.4055 0.7524
Brugia malayi hypothetical protein 0.0036 0.0324 0.0601
Schistosoma mansoni tar DNA-binding protein 0.0191 0.539 0.5345
Brugia malayi Bromodomain containing protein 0.003 0.0096 0.0179
Loa Loa (eye worm) hypothetical protein 0.0047 0.0685 0.127
Echinococcus granulosus tar DNA binding protein 0.0191 0.539 0.5345
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0324 0.023
Echinococcus granulosus dna polymerase eta 0.0045 0.0617 0.0526
Brugia malayi jmjC domain containing protein 0.0097 0.2307 0.428
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.2495 0.4629
Echinococcus multilocularis geminin 0.0331 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.4055 0.7524
Schistosoma mansoni tar DNA-binding protein 0.0191 0.539 0.5345
Brugia malayi PHD-finger family protein 0.003 0.0096 0.0179
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0617 0.1144
Schistosoma mansoni tar DNA-binding protein 0.0191 0.539 0.5345
Echinococcus multilocularis dna polymerase eta 0.0045 0.0617 0.0526
Schistosoma mansoni tar DNA-binding protein 0.0191 0.539 0.5345
Schistosoma mansoni hypothetical protein 0.0047 0.0685 0.0594
Schistosoma mansoni DNA polymerase eta 0.0045 0.0617 0.0526
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0173 0.2809
Schistosoma mansoni hypothetical protein 0.0047 0.0685 0.0594
Schistosoma mansoni tar DNA-binding protein 0.0191 0.539 0.5345
Loa Loa (eye worm) hypothetical protein 0.0051 0.0791 0.1467
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0685 0.127
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0685 0.127
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0301 0.0206
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0477 0.0384
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0096 0.5558
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0685 0.127
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0324 0.023
Loa Loa (eye worm) hypothetical protein 0.0102 0.2495 0.4629
Schistosoma mansoni hypothetical protein 0.0331 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.539 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0301 0.0206
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0301 0.0558
Giardia lamblia PHD finger protein 15 0.003 0.0096 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0301 0.0206
Loa Loa (eye worm) hypothetical protein 0.0045 0.0617 0.1144
Loa Loa (eye worm) hypothetical protein 0.003 0.0096 0.0179
Loa Loa (eye worm) TAR-binding protein 0.0191 0.539 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0173 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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