Detailed information for compound 1568518

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.325 | Formula: C15H15N7O3
  • H donors: 1 H acceptors: 6 LogP: 0.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ncc(c(n1)N)Cn1nnc(c1)COc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C15H15N7O3/c1-10-17-6-11(15(16)18-10)7-21-8-12(19-20-21)9-25-14-4-2-13(3-5-14)22(23)24/h2-6,8H,7,9H2,1H3,(H2,16,17,18)
  • InChiKey: QKLPLGWKARTQLN-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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.5409 0.5921
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0418 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0418 0.0739
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.1234 0.1234
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0112 0.5658 0.6193
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0418 0.0458
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.6152 0.8544
Toxoplasma gondii thioredoxin reductase 0.0052 0.1234 0.2181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.5409 0.5921
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0418 0.0739
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.6152 0.8544
Schistosoma mansoni alpha-glucosidase 0.0137 0.75 0.75
Brugia malayi RNA binding protein 0.0069 0.2498 0.2734
Schistosoma mansoni ap endonuclease 0.0041 0.0418 0.0418
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0418 0.0739
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0418 0.0418
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2498 0.2498
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0112 0.5658 1
Schistosoma mansoni hypothetical protein 0.0074 0.2873 0.2873
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0418 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0418 0.0739
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.1234 0.2181
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.1234 0.1234
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2498 0.2498
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.2873 0.3145
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0112 0.5658 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1109 0.1109
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0132 0.713 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2498 0.2498
Trypanosoma brucei trypanothione reductase 0.0052 0.1234 0.2181
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0112 0.5658 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0112 0.5658 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.5409 0.5921
Loa Loa (eye worm) glutathione reductase 0.0052 0.1234 0.1351
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0112 0.5658 1
Leishmania major trypanothione reductase 0.0052 0.1234 0.2181
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0112 0.5658 1
Schistosoma mansoni hypothetical protein 0.0171 1 1
Plasmodium falciparum thioredoxin reductase 0.0052 0.1234 0.1557
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0112 0.5658 0.5658
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0418 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0132 0.713 1
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.1234 0.1557
Brugia malayi glutathione reductase 0.0052 0.1234 0.1351
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0418 0.0739
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1109 0.1109
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0112 0.5658 0.6193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1109 0.1214
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.9135 0.9135
Mycobacterium tuberculosis Probable reductase 0.0119 0.6152 0.8544
Schistosoma mansoni ap endonuclease 0.0041 0.0418 0.0418
Toxoplasma gondii exonuclease III APE 0.0041 0.0418 0.0739
Onchocerca volvulus 0.0092 0.4185 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.9135 1
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.1234 0.1351
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1109 0.1109
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.5409 0.5921
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0112 0.5658 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.6152 0.8544
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0418 0.0739
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.6152 0.8544
Brugia malayi Thioredoxin reductase 0.0052 0.1234 0.1351
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2498 0.2498
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2498 0.2498
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0112 0.5658 0.5658
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.6152 0.8544
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0112 0.5658 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2498 0.2734
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.1234 0.1216
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0112 0.5658 0.6193
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.9135 0.9135
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0418 0.0739
Loa Loa (eye worm) hypothetical protein 0.0074 0.2873 0.3145
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0418 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0418 0.0458
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0112 0.5658 0.6193
Brugia malayi TAR-binding protein 0.0069 0.2498 0.2734
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0132 0.713 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0418 0.0418
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2498 0.2498
Schistosoma mansoni alpha-glucosidase 0.0137 0.75 0.75
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2498 0.2734
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0112 0.5658 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.713 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1109 0.1109
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1109 0.1109
Echinococcus multilocularis geminin 0.0171 1 1
Plasmodium falciparum glutathione reductase 0.0052 0.1234 0.1557
Loa Loa (eye worm) RNA binding protein 0.0069 0.2498 0.2734
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1109 0.1214
Plasmodium vivax glutathione reductase, putative 0.0052 0.1234 0.1557
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0112 0.5658 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.9135 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1109 0.1109
Schistosoma mansoni hypothetical protein 0.0171 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.9135 0.9135
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1109 0.1109
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0112 0.5658 0.5658
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2498 0.2734
Echinococcus granulosus tar DNA binding protein 0.0069 0.2498 0.2498

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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