Detailed information for compound 135027

Basic information

Technical information
  • TDR Targets ID: 135027
  • Name: 3-pyridin-4-yl-[1,2,4]triazino[5,6-c]quinolin e
  • MW: 259.265 | Formula: C15H9N5
  • H donors: 0 H acceptors: 5 LogP: 1.48 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: n1ccc(cc1)c1nnc2c(n1)cnc1c2cccc1
  • InChi: 1S/C15H9N5/c1-2-4-12-11(3-1)14-13(9-17-12)18-15(20-19-14)10-5-7-16-8-6-10/h1-9H
  • InChiKey: MQGGKZCZWVKCLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-pyridyl)-[1,2,4]triazino[5,6-c]quinoline
  • 51093-88-0
  • 2-Pyridin-4-yl-1,3,4,9-tetraaza-phenanthrene
  • AIDS-195877
  • AIDS195877

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 glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0079 0.3554 0.3554
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.4366 0.4366
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0079 0.3554 0.7623
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0189 1 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0052 0.1961 0.4206
Trypanosoma cruzi histone deacetylase, putative 0.0028 0.0573 0.123
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0079 0.3554 0.7623
Brugia malayi histone deacetylase 11 0.0028 0.0573 0.123
Loa Loa (eye worm) hypothetical protein 0.0098 0.4663 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0027 0.0532 0.1141
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0079 0.3554 0.3554
Trypanosoma cruzi histone deacetylase, putative 0.0028 0.0573 0.123
Echinococcus multilocularis histone deacetylase 1 0.0098 0.4663 0.4663
Loa Loa (eye worm) histone deacetylase 3 0.0098 0.4663 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0079 0.3554 0.7623
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0079 0.3554 0.7623
Toxoplasma gondii histone deacetylase HDAC1 0.0028 0.0573 0.123
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0052 0.1964 0.4211
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0079 0.3554 0.7623
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0079 0.3554 0.7623
Leishmania major histone deacetylase, putative 0.0098 0.4663 1
Trypanosoma cruzi histone deacetylase, putative 0.0028 0.0573 0.123
Trichomonas vaginalis histone deacetylase, putative 0.0098 0.4663 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0079 0.3554 1
Schistosoma mansoni alkaline phosphatase 0.0189 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.4366 0.9365
Brugia malayi Histone deacetylase family protein 0.0028 0.0573 0.123
Echinococcus granulosus histone deacetylase 7 0.0028 0.0573 0.0573
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0052 0.1964 0.1964
Plasmodium falciparum histone deacetylase 2 0.0028 0.0573 0.123
Onchocerca volvulus Histone deacetylase 10 homolog 0.0028 0.0573 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0079 0.3554 0.7623
Echinococcus multilocularis histone deacetylase 7 0.0028 0.0573 0.0573
Brugia malayi Histone deacetylase 1 0.0098 0.4663 1
Echinococcus multilocularis histone deacetylase 6 0.0028 0.0573 0.0573
Echinococcus multilocularis histone deacetylase 6 0.0028 0.0573 0.0573
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0079 0.3554 0.7623
Echinococcus granulosus histone deacetylase 0.0028 0.0573 0.0573
Brugia malayi histone deacetylase 3 (HD3) 0.0098 0.4663 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.4366 0.4366
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0052 0.1961 0.4206
Trypanosoma brucei histone deacetylase 1 0.0098 0.4663 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.4366 0.4366
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0189 1 1
Schistosoma mansoni hypothetical protein 0.0098 0.4688 0.4688
Plasmodium vivax histone deacetylase 1, putative 0.0098 0.4663 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0079 0.3554 0.7623
Schistosoma mansoni histone deacetylase 4 5 0.0028 0.0573 0.0573
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0052 0.1961 0.4206
Trichomonas vaginalis histone deacetylase, putative 0.0098 0.4663 1
Brugia malayi Histone deacetylase family protein 0.0028 0.0573 0.123
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0189 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0055 0.2125 0.4558
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0024 0.037 0.0795
Leishmania major histone deacetylase, putative 0.0028 0.0573 0.123
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0052 0.1961 0.4206
Loa Loa (eye worm) hypothetical protein 0.0052 0.1964 0.4211
Echinococcus granulosus histone deacetylase 3 0.0098 0.4663 0.4663
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0024 0.037 0.0795
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Loa Loa (eye worm) hypothetical protein 0.0028 0.0573 0.123
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0055 0.2125 0.4558
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0027 0.0532 0.1141
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0079 0.3554 1
Trypanosoma cruzi histone deacetylase, putative 0.0028 0.0573 0.123
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0079 0.3554 0.3554
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0052 0.1961 0.4206
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.4366 0.4366
Schistosoma mansoni histone deacetylase hda2 0.0028 0.0573 0.0573
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Trypanosoma cruzi histone deacetylase 1, putative 0.0098 0.4663 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0098 0.4663 1
Toxoplasma gondii histone deacetylase HDAC4 0.0028 0.0573 0.123
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0098 0.4663 1
Loa Loa (eye worm) histone deacetylase 7A 0.0028 0.0573 0.123
Loa Loa (eye worm) histone deacetylase 0.0028 0.0573 0.123
Trichomonas vaginalis histone deacetylase, putative 0.0098 0.4663 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0024 0.037 0.0795
Plasmodium falciparum histone deacetylase, putative 0.0028 0.0573 0.123
Trypanosoma brucei histone deacetylase 2 0.0028 0.0573 0.123
Plasmodium vivax histone deacetylase, putative 0.0028 0.0573 0.123
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Toxoplasma gondii histone deacetylase HDAC5 0.0028 0.0573 0.123
Echinococcus granulosus histone deacetylase 6 0.0028 0.0573 0.0573
Trypanosoma cruzi histone deacetylase, putative 0.0028 0.0573 0.123
Brugia malayi histone deacetylase 1 (HD1) 0.0098 0.4663 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0079 0.3554 0.7623
Leishmania major histone deacetylase, putative 0.0028 0.0573 0.123
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0189 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.4366 0.4366
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0189 1 1
Schistosoma mansoni alkaline phosphatase 0.0189 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.4366 0.4366
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0079 0.3554 0.3554
Plasmodium falciparum histone deacetylase 1 0.0098 0.4663 1
Echinococcus granulosus alkaline phosphatase 0.0189 1 1
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0024 0.037 0.0795
Trichomonas vaginalis histone deacetylase, putative 0.0098 0.4663 1
Trichomonas vaginalis histone deacetylase, putative 0.0098 0.4663 1
Plasmodium vivax histone deacetylase, putative 0.0028 0.0573 0.123
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0052 0.1964 0.1964
Loa Loa (eye worm) histone deacetylase 1 0.0098 0.4663 1
Trypanosoma brucei histone deacetylase 4 0.0028 0.0573 0.123
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0079 0.3554 0.3554
Echinococcus multilocularis histone deacetylase 8 0.0028 0.0573 0.0573
Trichomonas vaginalis histone deacetylase, putative 0.0098 0.4663 1
Echinococcus granulosus histone deacetylase 6 0.0028 0.0573 0.0573
Loa Loa (eye worm) histone deacetylase 11 0.0028 0.0573 0.123
Trypanosoma brucei histone deacetylase, putative 0.0028 0.0573 0.123
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0098 0.4663 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0079 0.3554 0.3554
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0079 0.3554 1
Giardia lamblia Histone deacetylase 0.0098 0.4663 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0098 0.4663 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0079 0.3554 0.7623
Entamoeba histolytica histone deacetylase, putative 0.0098 0.4663 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0028 0.0573 0.0573
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Echinococcus granulosus histone deacetylase 6 0.0028 0.0573 0.0573
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0027 0.0535 1
Schistosoma mansoni histone deacetylase 0.0098 0.4663 0.4663
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0024 0.037 0.0795
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0052 0.1964 0.4211
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0079 0.3554 0.7623
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0079 0.3554 0.7623
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0024 0.037 0.0795
Schistosoma mansoni histone deacetylase 0.0098 0.4663 0.4663
Echinococcus multilocularis histone deacetylase 6 0.0028 0.0573 0.0573
Echinococcus multilocularis histone deacetylase 3 0.0098 0.4663 0.4663
Schistosoma mansoni histone deacetylase 4 5 0.0028 0.0573 0.0573
Trypanosoma brucei histone deacetylase 3 0.0028 0.0573 0.123
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0079 0.3554 0.3554
Echinococcus granulosus histone deacetylase 8 0.0028 0.0573 0.0573
Leishmania major histone deacetylase, putative 0.0098 0.4663 1
Toxoplasma gondii histone deacetylase HDAC2 0.0098 0.4663 1
Plasmodium vivax histone deacetylase 2, putative 0.0028 0.0573 0.123
Echinococcus multilocularis histone deacetylase 0.0028 0.0573 0.0573
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0079 0.3554 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.3554 0.7623
Toxoplasma gondii histone deacetylase HDAC3 0.0098 0.4663 1
Echinococcus multilocularis alkaline phosphatase 0.0189 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.4366 0.9365
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0052 0.1964 0.4211
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0027 0.0535 0.5
Schistosoma mansoni histone deacetylase hda2 0.0028 0.0573 0.0573
Echinococcus granulosus histone deacetylase 1 0.0098 0.4663 0.4663
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0052 0.1964 0.4211
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.4366 0.4366
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0079 0.3554 0.3554

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 2 ug ml-1 Antifungal activity of the compound against Candida pseudotropicalis; Range is 2-4 ChEMBL. 2810336
MIC (functional) = 64 ug ml-1 Antifungal activity of the compound against Aspergillus niger; Range is 64-128 ChEMBL. 2810336
MIC (functional) = 64 ug ml-1 Antifungal activity of the compound against Trychophyton mentagrophytes ChEMBL. 2810336
MIC (functional) = 64 ug ml-1 Antifungal activity against Trychophyton rubrum ChEMBL. 2810336
MIC (functional) = 128 ug ml-1 Antifungal activity of the compound against Candida albicans ChEMBL. 2810336
MIC (functional) = 128 ug ml-1 Antifungal activity of the compound against Candida parapsilosis ChEMBL. 2810336
MIC (functional) = 128 ug ml-1 Antifungal activity of the compound against Candida tropicalis ChEMBL. 2810336
MIC (functional) = 128 ug ml-1 Antifungal activity of the compound against Candida albicans ChEMBL. 2810336

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

1 literature reference was collected for this gene.

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