Detailed information for compound 1324702

Basic information

Technical information
  • TDR Targets ID: 1324702
  • Name: 4,5,6,7-tetrachloro-2-(2H-1,2,4-triazol-3-yl) isoindole-1,3-dione
  • MW: 351.96 | Formula: C10H2Cl4N4O2
  • H donors: 1 H acceptors: 4 LogP: 3.37 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2c(C(=O)N1c1ncn[nH]1)c(Cl)c(c(c2Cl)Cl)Cl
  • InChi: 1S/C10H2Cl4N4O2/c11-4-2-3(5(12)7(14)6(4)13)9(20)18(8(2)19)10-15-1-16-17-10/h1H,(H,15,16,17)
  • InChiKey: AAJFRQZOLGOAOP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4,5,6,7-tetrachloro-2-(2H-1,2,4-triazol-3-yl)isoindoline-1,3-dione
  • 4,5,6,7-tetrachloro-2-(2H-1,2,4-triazol-3-yl)isoindoline-1,3-quinone
  • ZINC04828078

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glyceraldehyde-3-phosphate dehydrogenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma brucei gambiense glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania infantum glyceraldehyde 3-phosphate dehydrogenase, cytosolic Get druggable targets OG5_126628 All targets in OG5_126628
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) Get druggable targets OG5_126628 All targets in OG5_126628
Candida albicans glyceraldehyde-3-phosphate dehydrogenase (GAPDH), C. albicans cell surface antigen Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma congolense glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania mexicana glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative Get druggable targets OG5_126628 All targets in OG5_126628
Theileria parva glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Neospora caninum glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania mexicana glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma brucei gambiense glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic Get druggable targets OG5_126628 All targets in OG5_126628
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) Get druggable targets OG5_126628 All targets in OG5_126628
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 Get druggable targets OG5_126628 All targets in OG5_126628
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) Get druggable targets OG5_126628 All targets in OG5_126628
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania donovani glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma brucei gambiense glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Plasmodium berghei glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Plasmodium knowlesi glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma congolense glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Candida albicans glyceraldehyde-3-phosphate dehydrogenase (GAPDH), C. albicans cell surface antigen Get druggable targets OG5_126628 All targets in OG5_126628
Neospora caninum Glyceraldehyde 3-phosphate dehydrogenase (EC 1.2.1.12), related Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 Get druggable targets OG5_126628 All targets in OG5_126628
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) Get druggable targets OG5_126628 All targets in OG5_126628
Cryptosporidium hominis glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania infantum glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA Get druggable targets OG5_126628 All targets in OG5_126628
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative Get druggable targets OG5_126628 All targets in OG5_126628
Theileria parva glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative Get druggable targets OG5_126628 All targets in OG5_126628
Babesia bovis glyceraldehyde-3-phosphate dehydrogenase protein Get druggable targets OG5_126628 All targets in OG5_126628
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Cryptosporidium parvum glyceraldehyde 3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Schistosoma japonicum ko:K00134 glyceraldehyde 3-phosphate dehydrogenase [EC1.2.1.12], putative Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) Get druggable targets OG5_126628 All targets in OG5_126628
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma congolense glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania infantum glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania donovani glyceraldehyde 3-phosphate dehydrogenase, cytosolic Get druggable targets OG5_126628 All targets in OG5_126628
Leishmania braziliensis glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative Get druggable targets OG5_126628 All targets in OG5_126628
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal Get druggable targets OG5_126628 All targets in OG5_126628
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Plasmodium yoelii glyceraldehyde-3-phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase Get druggable targets OG5_126628 All targets in OG5_126628

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative glyceraldehyde-3-phosphate dehydrogenase 293 aa 259 aa 28.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2836 0.2825
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2836 0.2825
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.2836 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0082 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0062 0.2836 0.2836
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0082 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0062 0.2836 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0082 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2836 0.2825
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0062 0.2836 0.2836
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.2836 1
Trypanosoma brucei histone deacetylase 2 0.0062 0.2836 0.2836
Loa Loa (eye worm) hypothetical protein 0.0062 0.2836 1
Echinococcus multilocularis histone deacetylase 1 0.0062 0.2836 0.2825
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0082 1 1
Leishmania major histone deacetylase, putative 0.0062 0.2836 0.2836
Loa Loa (eye worm) histone deacetylase 0.0062 0.2836 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0082 1 1
Leishmania major histone deacetylase, putative 0.0062 0.2836 0.2836
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2836 0.2825
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0082 1 1
Giardia lamblia Histone deacetylase 0.0062 0.2836 0.2836
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0082 1 1
Trypanosoma brucei histone deacetylase 3 0.0062 0.2836 0.2836
Trypanosoma cruzi histone deacetylase, putative 0.0062 0.2836 0.2836
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0082 1 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0082 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0082 1 1
Leishmania major histone deacetylase, putative 0.0062 0.2836 0.2836
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0082 1 0.5
Echinococcus multilocularis histone deacetylase 7 0.0062 0.2836 0.2825
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2836 0.2825
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0082 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0082 1 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0082 1 1
Echinococcus multilocularis histone deacetylase 6 0.0062 0.2836 0.2825
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.2836 0.2836
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0082 1 1
Echinococcus granulosus histone deacetylase 6 0.0062 0.2836 0.2825
Echinococcus multilocularis histone deacetylase 6 0.0062 0.2836 0.2825
Trypanosoma brucei histone deacetylase 4 0.0062 0.2836 0.2836
Echinococcus granulosus histone deacetylase 6 0.0062 0.2836 0.2825
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0082 1 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0057 0.103 0.3597
Loa Loa (eye worm) hypothetical protein 0.0062 0.2836 1
Echinococcus granulosus histone deacetylase 1 0.0062 0.2836 0.2825
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0062 0.2836 1
Echinococcus granulosus histone deacetylase 8 0.0062 0.2836 0.2825
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2836 0.2825
Echinococcus granulosus histone deacetylase 7 0.0062 0.2836 0.2825
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2836 0.2825
Trypanosoma brucei histone deacetylase, putative 0.0062 0.2836 0.2836
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0082 1 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0082 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2836 0.2825
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.2836 0.2836
Echinococcus multilocularis histone deacetylase 6 0.0062 0.2836 0.2825
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0082 1 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0082 1 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0057 0.103 0.3597
Echinococcus multilocularis histone deacetylase 8 0.0062 0.2836 0.2825
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0082 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2836 0.2825
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0082 1 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0082 1 1
Echinococcus granulosus histone deacetylase 3 0.0062 0.2836 0.2825
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0082 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0062 0.2836 1
Echinococcus granulosus histone deacetylase 6 0.0062 0.2836 0.2825
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0082 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0062 0.2836 0.2836
Echinococcus multilocularis histone deacetylase 0.0062 0.2836 0.2825
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0082 1 1
Echinococcus granulosus histone deacetylase 0.0062 0.2836 0.2825
Echinococcus multilocularis histone deacetylase 3 0.0062 0.2836 0.2825
Trypanosoma cruzi histone deacetylase, putative 0.0062 0.2836 0.2836
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0082 1 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0082 1 1
Leishmania major histone deacetylase, putative 0.0062 0.2836 0.2836
Trypanosoma brucei histone deacetylase 1 0.0062 0.2836 0.2836
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0082 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.3 um PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 100 uM PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1548, AID1574, AID1577, AID1659, AID518] ChEMBL. No reference

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.