Detailed information for compound 2070899

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.367 | Formula: C17H20N4O
  • H donors: 0 H acceptors: 3 LogP: 2.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1CN1CCCC1c1noc(n1)C(C)C
  • InChi: 1S/C17H20N4O/c1-12(2)17-19-16(20-22-17)15-8-5-9-21(15)11-14-7-4-3-6-13(14)10-18/h3-4,6-7,12,15H,5,8-9,11H2,1-2H3
  • InChiKey: FAMHKUYIHAFZPK-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
Schistosoma mansoni hypothetical protein 0.0086 0.144 0.1332
Schistosoma mansoni hypothetical protein 0.0403 1 1
Entamoeba histolytica hypothetical protein 0.0086 0.144 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0038 0.0146 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0151 0.3195 0.311
Schistosoma mansoni tar DNA-binding protein 0.0151 0.3195 0.311
Loa Loa (eye worm) heat shock protein 90 0.0055 0.0625 0.1631
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0038 0.0146 0.0349
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.0625 0.8013
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0038 0.0146 0.0022
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0151 0.3195 1
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Leishmania major hypothetical protein, conserved 0.006 0.0749 1
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0052 0.0533 1
Toxoplasma gondii isocitrate dehydrogenase 0.0038 0.0146 0.0047
Brugia malayi hypothetical protein 0.0039 0.0176 0.017
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0625 0.8013
Schistosoma mansoni transcription factor LCR-F1 0.0086 0.144 0.1332
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Brugia malayi MH2 domain containing protein 0.014 0.2901 0.9042
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0038 0.0146 0.0349
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Echinococcus multilocularis heat shock protein 90 0.0047 0.0409 0.0289
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0625 0.8013
Plasmodium falciparum heat shock protein 90 0.0055 0.0625 0.1305
Schistosoma mansoni tar DNA-binding protein 0.0151 0.3195 0.311
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.0625 0.3807
Loa Loa (eye worm) RNA binding protein 0.0151 0.3195 1
Schistosoma mansoni hypothetical protein 0.0403 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0038 0.0146 0.0304
Plasmodium vivax heat shock protein, putative 0.021 0.4788 1
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0052 0.0533 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.006 0.0749 1
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.2901 0.9042
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0038 0.0146 0.0349
Brugia malayi heat shock protein 90 0.0055 0.0625 0.1631
Giardia lamblia Heat shock protein HSP 90-alpha 0.0055 0.0625 1
Brugia malayi RNA recognition motif domain containing protein 0.0151 0.3195 1
Echinococcus granulosus heat shock protein 90 0.0047 0.0409 0.0289
Trichomonas vaginalis heat shock protein, putative 0.0052 0.0533 0.8533
Trypanosoma brucei Heat shock protein 83, putative 0.0055 0.0625 0.8013
Loa Loa (eye worm) isocitrate dehydrogenase 0.0038 0.0146 0.0071
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Plasmodium falciparum ataxin-2 like protein, putative 0.006 0.0749 0.1564
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Toxoplasma gondii Hsp90 domain-containing protein 0.021 0.4788 1
Toxoplasma gondii LsmAD domain-containing protein 0.006 0.0749 0.134
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Trichomonas vaginalis heat shock protein, putative 0.004 0.0216 0.345
Brugia malayi Isocitrate dehydrogenase 0.0038 0.0146 0.0071
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Loa Loa (eye worm) TAR-binding protein 0.0151 0.3195 1
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Schistosoma mansoni endoplasmin 0.0055 0.0625 0.0507
Mycobacterium ulcerans heat shock protein 90 0.0052 0.0533 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0086 0.144 0.1332
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.0625 0.3807
Plasmodium falciparum heat shock protein 90, putative 0.021 0.4788 1
Trypanosoma cruzi PAB1-binding protein , putative 0.006 0.0749 1
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Treponema pallidum heat shock protein 90 0.0052 0.0533 0.5
Entamoeba histolytica hypothetical protein 0.0086 0.144 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0038 0.0146 0.0022
Brugia malayi RNA binding protein 0.0151 0.3195 1
Echinococcus granulosus endoplasmin 0.0052 0.0533 0.0414
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Schistosoma mansoni tar DNA-binding protein 0.0151 0.3195 0.311
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.0625 0.8013
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Trichomonas vaginalis heat shock protein, putative 0.0052 0.0533 0.8533
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Trichomonas vaginalis heat shock protein, putative 0.0055 0.0625 1
Schistosoma mansoni tar DNA-binding protein 0.0151 0.3195 0.311
Schistosoma mansoni heat shock protein 0.0055 0.0625 0.0507
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Brugia malayi isocitrate dehydrogenase 0.0038 0.0146 0.0071
Echinococcus multilocularis heat shock protein 90 0.0055 0.0625 0.0507
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.2901 0.9042
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0052 0.0533 0.5
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0052 0.0533 0.6546
Brugia malayi hypothetical protein 0.006 0.0749 0.2035
Plasmodium falciparum ataxin-2 like protein, putative 0.006 0.0749 0.1564
Plasmodium vivax endoplasmin, putative 0.0055 0.0625 0.1074
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Echinococcus multilocularis heat shock protein 0.0055 0.0625 0.0507
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0038 0.0146 0.0022
Loa Loa (eye worm) endoplasmin 0.0055 0.0625 0.1631
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0038 0.0146 0.0022
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0038 0.0146 0.0349
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Giardia lamblia Grp94/Hsp90 0.0052 0.0533 0.5748
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0625 0.8013
Echinococcus multilocularis tar DNA binding protein 0.0151 0.3195 0.311
Echinococcus granulosus heat shock protein 0.0055 0.0625 0.0507
Trypanosoma cruzi Heat shock protein 83, putative 0.0055 0.0625 0.8013
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0047 0.0409 0.0289
Echinococcus multilocularis endoplasmin 0.0052 0.0533 0.0414
Schistosoma mansoni endoplasmin 0.0055 0.0625 0.0507
Entamoeba histolytica hypothetical protein 0.0086 0.144 1
Echinococcus granulosus heat shock protein 90 0.0055 0.0625 0.0507
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0038 0.0146 0.0349
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0038 0.0146 0.0022
Plasmodium vivax ataxin-2 like protein, putative 0.006 0.0749 0.134
Trichomonas vaginalis endoplasmin, putative 0.004 0.0216 0.345
Entamoeba histolytica hypothetical protein 0.0086 0.144 1
Toxoplasma gondii heat shock protein 90, putative 0.0055 0.0625 0.1074
Echinococcus granulosus tar DNA binding protein 0.0151 0.3195 0.311
Echinococcus multilocularis geminin 0.0403 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0749 0.2035
Trypanosoma cruzi heat shock protein 90, putative 0.0055 0.0625 0.8013
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.0409 0.4564
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0038 0.0146 0.0047
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Leishmania major heat shock protein 83-1 0.0055 0.0625 0.8013
Trichomonas vaginalis heat shock protein, putative 0.0047 0.0409 0.655
Trypanosoma brucei PAB1-binding protein , putative 0.006 0.0749 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0037 0.0124 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0038 0.0146 0.0022
Trypanosoma brucei heat shock protein, putative 0.0055 0.0625 0.8013
Plasmodium falciparum endoplasmin, putative 0.004 0.0216 0.045
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0409 0.4564
Brugia malayi Endoplasmin precursor 0.0055 0.0625 0.1631
Brugia malayi hypothetical protein 0.0086 0.144 0.4285
Schistosoma mansoni heat shock protein 0.0055 0.0625 0.0507
Toxoplasma gondii isocitrate dehydrogenase 0.0038 0.0146 0.0047
Toxoplasma gondii heat shock protein HSP90 0.0055 0.0625 0.1074
Plasmodium vivax heat shock protein 86, putative 0.0055 0.0625 0.1074
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0086 0.144 0.1332
Brugia malayi TAR-binding protein 0.0151 0.3195 1

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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