Detailed information for compound 1168460

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 211.219 | Formula: C12H9N3O
  • H donors: 1 H acceptors: 3 LogP: 2.33 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(nc2n1ccnc2)c1ccccc1
  • InChi: 1S/C12H9N3O/c16-12-11(9-4-2-1-3-5-9)14-10-8-13-6-7-15(10)12/h1-8,16H
  • InChiKey: JKXUCFWIJZSEIS-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
Plasmodium falciparum polyprenol reductase, putative 0.0044 0.2692 0.5
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0044 0.2692 0.2692
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0044 0.2692 0.5
Mycobacterium ulcerans hypothetical protein 0.0044 0.2692 1
Echinococcus granulosus acetylcholinesterase 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Schistosoma mansoni gliotactin 0.0024 0.1223 0.1223
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.2692 1
Brugia malayi Carboxylesterase family protein 0.0024 0.1223 0.1223
Brugia malayi Carboxylesterase family protein 0.0024 0.1223 0.1223
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0044 0.2692 0.2692
Echinococcus granulosus para nitrobenzyl esterase 0.0024 0.1223 0.1223
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0044 0.2692 0.5
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 0.5
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0044 0.2692 0.5
Brugia malayi hypothetical protein 0.0024 0.1223 0.1223
Echinococcus multilocularis carboxylesterase 5A 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.2692 0.2692
Echinococcus multilocularis BC026374 protein (S09 family) 0.0024 0.1223 0.1223
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 0.2692 0.5
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 0.2692 0.5
Brugia malayi Synaptic glycoprotein SC2 0.0044 0.2692 0.2692
Loa Loa (eye worm) carboxylesterase 0.0142 1 1
Brugia malayi Carboxylesterase family protein 0.0024 0.1223 0.1223
Brugia malayi Carboxylesterase family protein 0.0142 1 1
Echinococcus multilocularis synaptic glycoprotein sc2 0.0044 0.2692 0.2692
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 0.2692 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.1223 0.1223
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.1223 0.1223
Echinococcus multilocularis neuroligin 0.0024 0.1223 0.1223
Schistosoma mansoni neuroligin 3 (S09 family) 0.0024 0.1223 0.1223
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Schistosoma mansoni BC026374 protein (S09 family) 0.0024 0.1223 0.1223
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Onchocerca volvulus 0.0024 0.1223 0.4544
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0142 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.1223 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0044 0.2692 0.2692
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 0.5
Giardia lamblia Synaptic glycoprotein SC2 0.0044 0.2692 0.5
Echinococcus multilocularis acetylcholinesterase 0.0142 1 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 0.2692 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.2692 0.2692
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 0.2692 1
Loa Loa (eye worm) carboxylesterase 0.0024 0.1223 0.1223
Echinococcus granulosus neuroligin 0.0024 0.1223 0.1223
Echinococcus multilocularis para nitrobenzyl esterase 0.0024 0.1223 0.1223
Onchocerca volvulus 0.0044 0.2692 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Loa Loa (eye worm) carboxylesterase 0.0024 0.1223 0.1223
Echinococcus granulosus carboxylesterase 5A 0.0142 1 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 1
Brugia malayi Carboxylesterase family protein 0.0024 0.1223 0.1223
Echinococcus granulosus BC026374 protein S09 family 0.0024 0.1223 0.1223
Onchocerca volvulus 0.0024 0.1223 0.4544
Schistosoma mansoni acetylcholinesterase 0.0024 0.1223 0.1223
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0044 0.2692 0.5
Plasmodium vivax polyprenol reductase, putative 0.0044 0.2692 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0024 0.1223 0.1223
Echinococcus multilocularis acetylcholinesterase 0.0142 1 1
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0044 0.2692 0.2692
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 0.5
Entamoeba histolytica hypothetical protein 0.0044 0.2692 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0024 0.1223 0.5
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0044 0.2692 0.2692
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.2692 0.2692
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 0.2692 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.2692 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.1223 0.1223
Onchocerca volvulus 0.0024 0.1223 0.4544
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 0.2692 0.5
Echinococcus granulosus acetylcholinesterase 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1223 0.1223
Loa Loa (eye worm) acetylcholinesterase 1 0.0142 1 1
Onchocerca volvulus 0.0024 0.1223 0.4544
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0024 0.1223 0.1223
Onchocerca volvulus 0.0024 0.1223 0.4544
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0044 0.2692 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.1223 0.5
Echinococcus granulosus synaptic glycoprotein sc2 0.0044 0.2692 0.2692

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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