Detailed information for compound 1172489

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 451.319 | Formula: C21H19BrN6O
  • H donors: 1 H acceptors: 5 LogP: 4.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ncc(c(n1)N(NC(=O)c1cncc(c1)c1ccccc1)CC(C)C)Br
  • InChi: 1S/C21H19BrN6O/c1-14(2)13-28(20-18(22)12-25-19(9-23)26-20)27-21(29)17-8-16(10-24-11-17)15-6-4-3-5-7-15/h3-8,10-12,14H,13H2,1-2H3,(H,27,29)
  • InChiKey: KLMYYNHAEAUPSF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0077 0.319 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0077 0.319 0.5
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0184 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0077 0.319 1
Echinococcus multilocularis muscleblind protein 0.017 0.9102 0.8976
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0065 0.2459 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0077 0.319 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0184 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0077 0.319 0.223
Loa Loa (eye worm) hypothetical protein 0.017 0.9102 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0077 0.319 0.2485
Echinococcus granulosus muscleblind protein 0.017 0.9102 0.8976
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0077 0.319 1
Echinococcus granulosus alkaline phosphatase 0.0184 1 1
Schistosoma mansoni alkaline phosphatase 0.0184 1 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0077 0.319 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0077 0.319 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0077 0.319 0.223
Echinococcus multilocularis alkaline phosphatase 0.0184 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0184 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0077 0.319 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0077 0.319 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.218 0.12
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.2459 0.1395
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0077 0.319 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.2459 0.1395
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0077 0.319 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0077 0.319 0.223
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0077 0.319 0.223
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0077 0.319 0.5
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.005 0.151 0.0348
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Loa Loa (eye worm) hypothetical protein 0.017 0.9102 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0027 0 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0077 0.319 0.223
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0077 0.319 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Echinococcus multilocularis muscleblind protein 1 0.017 0.9102 0.8976
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.005 0.151 0.0348
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.2459 0.1395
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Schistosoma mansoni alkaline phosphatase 0.0184 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0077 0.319 0.223
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0053 0.1681 0.0565
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0077 0.319 0.5
Schistosoma mansoni hypothetical protein 0.0096 0.4387 0.3596
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0184 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.005 0.151 0.0313
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0077 0.319 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.005 0.151 0.0313
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0077 0.319 0.223
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0077 0.319 0.5
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0077 0.319 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0077 0.319 1
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0184 1 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0077 0.319 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.2459 0.1555
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0077 0.319 0.223
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0065 0.2459 0.5653
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0077 0.319 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0077 0.319 0.5
Brugia malayi Muscleblind-like protein 0.017 0.9102 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0053 0.1681 0.0565
Loa Loa (eye worm) hypothetical protein 0.005 0.151 0.0348

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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