Detailed information for compound 44124

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 160.136 | Formula: C6H4N6
  • H donors: 1 H acceptors: 2 LogP: 1.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=Nc1[nH]ccc2c1ncn2
  • InChi: 1S/C6H4N6/c7-12-11-6-5-4(1-2-8-6)9-3-10-5/h1-3,8H
  • InChiKey: APJKZRHOYWFSPY-UHFFFAOYSA-N  


Substructure search Similarity search

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 aldo/keto reductase, putative 0.0074 0.0289 0.1405
Echinococcus multilocularis aldo keto reductase 0.0256 0.1626 0.1567
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0256 0.1626 0.984
Onchocerca volvulus Matrilysin homolog 0.0107 0.0533 0.1823
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0131 0.0705 0.4077
Echinococcus granulosus voltage gated potassium channel subunit 0.0074 0.0289 0.022
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0256 0.1626 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0256 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0377 0.1937
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0074 0.0289 0.1778
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0256 0.1626 1
Onchocerca volvulus 0.0256 0.1626 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0256 0.1626 1
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.045 0.3051 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Loa Loa (eye worm) oxidoreductase 0.0256 0.1626 0.984
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Onchocerca volvulus Matrilysin homolog 0.0238 0.1494 0.9009
Trichomonas vaginalis aldo-keto reductase, putative 0.0074 0.0289 0.1778
Giardia lamblia Aldose reductase 0.0256 0.1626 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0256 0.1626 0.984
Trichomonas vaginalis aldo/keto reductase, putative 0.0256 0.1626 1
Leishmania major prostaglandin f synthase, putative 0.0256 0.1626 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Leishmania major aldo-keto reductase-like protein 0.0256 0.1626 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0074 0.0289 0.022
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.007 0.0433
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Entamoeba histolytica alcohol dehydrogenase, putative 0.0074 0.0289 0.1405
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.0377 0.1937
Onchocerca volvulus 0.0256 0.1626 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Mycobacterium ulcerans hypothetical protein 0.0074 0.0289 0.0733
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0256 0.1626 0.984
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Schistosoma mansoni potassium channel beta 0.0074 0.0289 0.1405
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0563 0.3113
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0074 0.0289 0.1383
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.045 0.3051 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.0377 0.0309
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Loa Loa (eye worm) oxidoreductase 0.0256 0.1626 0.984
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Mycobacterium leprae Conserved hypothetical protein 0.0182 0.1081 0.339
Loa Loa (eye worm) oxidoreductase 0.0256 0.1626 0.984
Loa Loa (eye worm) hypothetical protein 0.0107 0.0533 0.2924
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Trypanosoma cruzi aldo/keto reductase, putative 0.0074 0.0289 0.1405
Entamoeba histolytica aldose reductase, putative 0.0256 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.0705 0.4012
Echinococcus granulosus aldo keto reductase 0.0256 0.1626 0.1567
Entamoeba histolytica aldose reductase, putative 0.0256 0.1626 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0131 0.0705 0.2128
Loa Loa (eye worm) apoptosis regulator protein 0.0111 0.0563 0.3113
Onchocerca volvulus 0.0152 0.0863 0.4289
Echinococcus granulosus aldo keto reductase 0.0256 0.1626 0.1567
Schistosoma mansoni hypothetical protein 0.0105 0.0517 0.2872
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Schistosoma mansoni apoptosis regulator bax 0.0111 0.0563 0.3164
Brugia malayi NADH-dependent xylose reductase 0.0074 0.0289 0.1383
Onchocerca volvulus 0.0256 0.1626 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0074 0.0289 0.1778
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.0377 0.0309
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0111 0.0563 0.3164
Brugia malayi Matrixin family protein 0.0107 0.0533 0.2924
Schistosoma mansoni aldo-keto reductase 0.0256 0.1626 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.039 0.2613 0.256
Onchocerca volvulus 0.0107 0.0533 0.1823
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0107 0.0533 0.2972
Onchocerca volvulus 0.0086 0.0377 0.0656
Onchocerca volvulus 0.0256 0.1626 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0074 0.0289 0.1383
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.1394 1 1
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.045 0.3051 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0256 0.1626 1
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.045 0.3051 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0533 0.2924
Echinococcus multilocularis voltage gated potassium channel subunit 0.0074 0.0289 0.022
Loa Loa (eye worm) matrixin family protein 0.0238 0.1494 0.9002
Onchocerca volvulus Matrix metalloproteinase homolog 0.0238 0.1494 0.9009
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Mycobacterium leprae Possible oxidoreductase 0.0074 0.0289 0.0733
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.007 0.0433
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.007 0.0433
Mycobacterium tuberculosis Conserved protein 0.0074 0.0289 0.1405
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0111 0.0563 0.0496
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Brugia malayi Matrixin family protein 0.0107 0.0533 0.2924
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Echinococcus multilocularis aldehyde reductase 0.0182 0.1081 0.1018
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0256 0.1626 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.039 0.2613 0.256
Trichomonas vaginalis aldo-keto reductase, putative 0.0074 0.0289 0.1778
Loa Loa (eye worm) hypothetical protein 0.0256 0.1626 0.984
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Onchocerca volvulus 0.0256 0.1626 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Giardia lamblia Aldose reductase 0.0256 0.1626 1
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.045 0.3051 0.5
Mycobacterium ulcerans oxidoreductase 0.0256 0.1626 0.5219
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0074 0.0289 0.1405
Brugia malayi Matrixin family protein 0.0259 0.1652 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.007 0.0433
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Echinococcus multilocularis aldo keto reductase 0.0256 0.1626 0.1567
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.045 0.3051 1
Schistosoma mansoni hypothetical protein 0.0111 0.0563 0.3164
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0256 0.1626 0.1567
Trypanosoma brucei RNA helicase, putative 0.0105 0.0517 0.2872
Brugia malayi Matrixin family protein 0.0107 0.0533 0.2924
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0111 0.0563 0.3113
Brugia malayi Matrixin family protein 0.0107 0.0533 0.2924
Brugia malayi Hemopexin family protein 0.0152 0.0863 0.501
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Schistosoma mansoni pol-related 0.0256 0.1626 1
Echinococcus multilocularis aldo keto reductase 0.0256 0.1626 0.1567
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0131 0.0705 0.4012
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0289 0.1778
Schistosoma mansoni hypothetical protein 0.0111 0.0563 0.3164
Mycobacterium ulcerans hydrolase 0.0131 0.0705 0.2128
Entamoeba histolytica aldose reductase, putative 0.0256 0.1626 1
Loa Loa (eye worm) oxidoreductase 0.0256 0.1626 0.984
Loa Loa (eye worm) oxidoreductase 0.0256 0.1626 0.984
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.0377 0.1969
Schistosoma mansoni hypothetical protein 0.0152 0.0863 0.5091
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.045 0.3051 0.5
Toxoplasma gondii aldose reductase, putative 0.0256 0.1626 0.4841
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0256 0.1626 0.984
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0108 0.0539 0.3013
Trypanosoma brucei prostaglandin f synthase 0.0256 0.1626 1
Schistosoma mansoni hypothetical protein 0.0111 0.0563 0.3164
Echinococcus multilocularis aldo keto reductase 0.0256 0.1626 0.1567
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Entamoeba histolytica alcohol dehydrogenase, putative 0.0074 0.0289 0.1405
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0256 0.1626 0.5219
Trichomonas vaginalis aldo/keto reductase, putative 0.0256 0.1626 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.007 0.0433
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0256 0.1626 0.1567
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Loa Loa (eye worm) matrixin family protein 0.0259 0.1652 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0533 0.2924
Echinococcus granulosus hypothetical protein 0.0256 0.1626 0.1567
Trypanosoma brucei aldo-keto reductase, putative 0.0256 0.1626 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0256 0.1626 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0256 0.1626 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0256 0.1626 1
Trypanosoma cruzi aldo-keto reductase 0.0256 0.1626 1
Echinococcus granulosus aldehyde reductase 0.0182 0.1081 0.1018
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0111 0.0563 0.0496
Onchocerca volvulus 0.0256 0.1626 1
Schistosoma mansoni aldo-keto reductase 0.0256 0.1626 1
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.045 0.3051 1
Loa Loa (eye worm) matrix metalloproteinase 0.0107 0.0533 0.2924
Echinococcus granulosus aldo keto reductase 0.0256 0.1626 0.1567

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) NA 0 mg kg-1 Dose required to produce an acute inflammatory response of the algal poly saccharide carrageenan into the pleural cavity of rat; IA is Inactive at 9 mg/kg ChEMBL. 3941408
Inhibition (functional) < 5 % Inhibition of lymphocyte-mediated cytolysis at a concentratioon of 100 uM in [51Cr]- labelled EL4 leukemia cells ChEMBL. 3941408
Inhibition (functional) < 5 % Inhibition of lymphocyte-mediated cytolysis at a concentratioon of 100 uM in [51Cr]- labelled EL4 leukemia cells ChEMBL. 3941408
Inhibition (functional) = 20 % Compound was tested for inhibition of human sternal marrow cell (D98) growth at a concentration of 100 uM ChEMBL. 3941408
Inhibition (functional) = 20 % Compound was tested for inhibition of mouse connective tissue cell (L) growth at a concentration of 100 uM ChEMBL. 3941408
Inhibition (functional) = 20 % Compound was tested for inhibition of mouse connective tissue cell (L) growth at a concentration of 100 uM ChEMBL. 3941408

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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