Detailed information for compound 805892

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.387 | Formula: C22H17N3O5
  • H donors: 0 H acceptors: 4 LogP: 3.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(=O)n(Cc2ccc(cc2)[N+](=O)[O-])c2c(c1=O)cccc2
  • InChi: 1S/C22H17N3O5/c1-30-18-12-10-16(11-13-18)24-21(26)19-4-2-3-5-20(19)23(22(24)27)14-15-6-8-17(9-7-15)25(28)29/h2-13H,14H2,1H3
  • InChiKey: CYWWOBBSHBSTCD-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
Toxoplasma gondii hexokinase 0.0086 0.3799 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.5747 0.8342
Echinococcus granulosus hexokinase 0.0086 0.3799 0.3599
Toxoplasma gondii thioredoxin reductase 0.0051 0.1563 0.4055
Brugia malayi jmjC domain containing protein 0.0103 0.4892 0.7477
Onchocerca volvulus 0.0086 0.3799 1
Plasmodium falciparum glutathione reductase 0.0051 0.1563 0.4055
Brugia malayi Thioredoxin reductase 0.0051 0.1563 0.239
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0311 0.0725
Brugia malayi Hexokinase family protein 0.0054 0.1749 0.2673
Trypanosoma brucei hexokinase 0.0086 0.3799 1
Echinococcus granulosus hexokinase 0.0086 0.3799 0.3599
Trypanosoma cruzi hexokinase, putative 0.0086 0.3799 1
Entamoeba histolytica hexokinase 2 0.0086 0.3799 1
Echinococcus granulosus hexokinase type 2 0.0086 0.3799 0.3599
Brugia malayi hypothetical protein 0.0039 0.0783 0.1196
Loa Loa (eye worm) glutathione reductase 0.0051 0.1563 0.239
Schistosoma mansoni hypothetical protein 0.0182 1 1
Trypanosoma brucei hexokinase, putative 0.0086 0.3799 1
Brugia malayi jmjC domain containing protein 0.0038 0.0735 0.1123
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.6578 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.1563 0.4055
Leishmania major trypanothione reductase 0.0051 0.1563 0.4055
Brugia malayi hexokinase type II 0.0027 0.0047 0.0072
Trypanosoma cruzi hexokinase, putative 0.0086 0.3799 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.175 0.2674
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.1563 0.1292
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.5747 0.8342
Onchocerca volvulus 0.0086 0.3799 1
Brugia malayi hypothetical protein 0.0027 0.0039 0.0059
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.5747 0.8342
Loa Loa (eye worm) hypothetical protein 0.0027 0.0039 0.0059
Plasmodium vivax glutathione reductase, putative 0.0051 0.1563 0.4055
Echinococcus multilocularis hexokinase type 2 0.0086 0.3799 0.3599
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0783 0.0486
Trypanosoma brucei trypanothione reductase 0.0051 0.1563 0.4055
Loa Loa (eye worm) hexokinase type II 0.0086 0.3799 0.5806
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0735 0.0437
Mycobacterium tuberculosis Probable reductase 0.0116 0.5747 0.8342
Giardia lamblia PHD finger protein 15 0.0031 0.0311 0.5
Brugia malayi PHD-finger family protein 0.0031 0.0311 0.0476
Echinococcus multilocularis hexokinase 0.0086 0.3799 0.3599
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0735 0.0437
Loa Loa (eye worm) hypothetical protein 0.0027 0.0047 0.0072
Onchocerca volvulus Hexokinase homolog 0.0054 0.1749 0.4122
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0783 0.0486
Brugia malayi hexokinase 0.0086 0.3799 0.5806
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0783 0.0486
Plasmodium falciparum thioredoxin reductase 0.0051 0.1563 0.4055
Plasmodium vivax hexokinase, putative 0.0086 0.3799 1
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0311 0.0476
Brugia malayi MH2 domain containing protein 0.0129 0.6543 1
Entamoeba histolytica hexokinase 1 0.0086 0.3799 1
Leishmania major hexokinase, putative 0.0086 0.3799 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0311 0.0725
Schistosoma mansoni hexokinase 0.0086 0.3799 0.3599
Loa Loa (eye worm) hypothetical protein 0.0031 0.0311 0.0476
Loa Loa (eye worm) hexokinase 0.0086 0.3799 0.5806
Schistosoma mansoni hypothetical protein 0.0182 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.0783 0.0486
Leishmania major hexokinase, putative 0.0086 0.3799 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.1563 0.1292
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.1563 0.239
Plasmodium falciparum phd finger protein, putative 0.0031 0.0311 0.0725
Echinococcus multilocularis hexokinase 0.0086 0.3799 0.3599
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.11 0.0814
Echinococcus multilocularis geminin 0.0182 1 1
Loa Loa (eye worm) hexokinase 0.0054 0.1749 0.2673
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.6578 1
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.1563 0.4055
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.6543 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.5747 0.8342
Echinococcus multilocularis hexokinase 0.0086 0.3799 0.3599
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.5747 0.8342
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.6578 1
Schistosoma mansoni jumonji domain containing protein 0.0082 0.3537 0.3329
Loa Loa (eye worm) hypothetical protein 0.0027 0.0047 0.0072
Loa Loa (eye worm) hypothetical protein 0.0058 0.205 0.3133
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.4892 0.4728
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.2455 0.3753
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.6578 1
Treponema pallidum hexokinase (hxk) 0.0086 0.3799 0.5
Trypanosoma brucei hexokinase 0.0086 0.3799 1
Brugia malayi glutathione reductase 0.0051 0.1563 0.239
Onchocerca volvulus 0.0054 0.1749 0.4122
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0735 0.0437
Loa Loa (eye worm) hexokinase 0.0086 0.3799 0.5806
Plasmodium falciparum hexokinase 0.0086 0.3799 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0735 0.0437
Echinococcus granulosus hexokinase 0.0086 0.3799 0.3599
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0311 0.0725
Echinococcus granulosus jumonji domain containing protein 0.0044 0.11 0.0814
Brugia malayi Hexokinase family protein 0.0086 0.3799 0.5806
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.4892 0.4728
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0735 0.1123
Brugia malayi Bromodomain containing protein 0.0031 0.0311 0.0476
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.6543 1
Onchocerca volvulus 0.0086 0.3799 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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