Detailed information for compound 845782

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.322 | Formula: C16H15N5O3
  • H donors: 1 H acceptors: 5 LogP: 3.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNc1ccc(cc1[N+](=O)[O-])c1noc(n1)c1cccnc1
  • InChi: 1S/C16H15N5O3/c1-2-7-18-13-6-5-11(9-14(13)21(22)23)15-19-16(24-20-15)12-4-3-8-17-10-12/h3-6,8-10,18H,2,7H2,1H3
  • InChiKey: RSQWRGOKSRGKAB-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 enoyl-acyl carrier reductase ENR 0.0613 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.02 0.0152
Leishmania major protein kinase, putative 0.0047 0.02 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0613 1 1
Echinococcus multilocularis transfer RNA-Lys 0.0133 0.1695 0.2772
Mycobacterium ulcerans putative regulatory protein 0.0133 0.1695 0.1603
Loa Loa (eye worm) hypothetical protein 0.034 0.528 0.8647
Trypanosoma brucei oxidoreductase-like protein 0.0041 0.0109 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0613 1 1
Leishmania major protein kinase, putative 0.0047 0.02 1
Trichomonas vaginalis hypothetical protein 0.0613 1 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.034 0.528 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0613 1 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0048 0.0227 0.0197
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.2573 0.4873
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0047 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.5307 0.8692
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.2362 0.3767
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0041 0.0109 0.0179
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0041 0.0109 0.5
Brugia malayi hypothetical protein 0.0047 0.02 0.0379
Onchocerca volvulus 0.0387 0.6089 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0041 0.0109 0.013
Loa Loa (eye worm) hypothetical protein 0.0387 0.6089 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0047 0.02 1
Schistosoma mansoni dihydropteridine reductase 0.0041 0.0109 0.013
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0048 0.0227 0.0371
Echinococcus multilocularis aryl hydrocarbon receptor 0.0388 0.6116 1
Onchocerca volvulus 0.0135 0.1722 0.2697
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0613 1 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0047 0.02 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0041 0.0109 0.0179
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0047 0.02 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0047 0.02 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.2573 0.412
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0047 0.02 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0613 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0109 0.0207
Trypanosoma brucei pteridine reductase 1 0.0041 0.0109 0.5
Schistosoma mansoni single-minded 0.018 0.2504 0.2974
Echinococcus granulosus single minded 2 0.0133 0.1695 0.2772
Schistosoma mansoni aryl hydrocarbon receptor 0.0521 0.842 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0388 0.6116 1
Brugia malayi bHLH-PAS transcription factor 0.0133 0.1695 0.3211
Brugia malayi PAS domain containing protein 0.018 0.2504 0.4743
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0613 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0109 0.0207
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0041 0.0109 1
Mycobacterium leprae Possible regulatory protein 0.0047 0.02 0.0092
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0048 0.0227 0.0371
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0047 0.02 0.0092
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0047 0.02 1
Onchocerca volvulus 0.0169 0.2312 0.3683

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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