Detailed information for compound 1167284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.268 | Formula: C14H11N5O4
  • H donors: 3 H acceptors: 7 LogP: 1.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cc(CNc2cccnc2)c2c(c1)nc(c(n2)O)O
  • InChi: 1S/C14H11N5O4/c20-13-14(21)18-12-8(6-16-9-2-1-3-15-7-9)4-10(19(22)23)5-11(12)17-13/h1-5,7,16H,6H2,(H,17,20)(H,18,21)
  • InChiKey: INZGYLKYWSCLAC-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
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.6592 0.5709
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3834 0.4582
Brugia malayi CHE-14 protein 0.0044 0.2057 0.2481
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1398 0.1387
Schistosoma mansoni hypothetical protein 0.0042 0.1934 0.1009
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0078 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2671 0.3498
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0562 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.3834 0.2237
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0562 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0562 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.6592 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0562 0.5
Brugia malayi TAR-binding protein 0.0067 0.3834 0.5427
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0562 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2671 0.398
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3834 0.4582
Echinococcus granulosus expressed conserved protein 0.0096 0.611 0.5102
Brugia malayi RNA binding protein 0.0067 0.3834 0.5427
Loa Loa (eye worm) hypothetical protein 0.0025 0.0562 0.0742
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0562 1
Echinococcus multilocularis protein dispatched 1 0.005 0.2539 0.0606
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0562 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.2057 0.3039
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0562 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0562 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.6592 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1398 0.2027
Echinococcus granulosus tar DNA binding protein 0.0067 0.3834 0.2237
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0562 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.6592 0.5709
Loa Loa (eye worm) hypothetical protein 0.0052 0.2671 0.398
Loa Loa (eye worm) TAR-binding protein 0.0067 0.3834 0.5766
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.6714 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.6592 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2671 0.3498
Schistosoma mansoni hypothetical protein 0.0042 0.1934 0.1009
Onchocerca volvulus 0.0025 0.0562 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3834 0.4582
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.3834 0.5766
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.3834 0.5427
Echinococcus multilocularis Niemann Pick C1 protein 0.0146 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.2057 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.1934 0.1009
Loa Loa (eye worm) hypothetical protein 0.0025 0.0562 0.0742
Mycobacterium ulcerans hypothetical protein 0.0025 0.0562 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3834 0.4582
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0562 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0078 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0078 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0562 0.0742
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0562 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0562 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0078 0.139
Echinococcus multilocularis expressed conserved protein 0.0096 0.611 0.5102
Schistosoma mansoni hypothetical protein 0.0042 0.1934 0.1009
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3834 0.4582
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.2057 0.3039
Loa Loa (eye worm) RNA binding protein 0.0067 0.3834 0.5766
Loa Loa (eye worm) hypothetical protein 0.0054 0.2824 0.4216
Schistosoma mansoni patched 1 0.0044 0.2057 0.124
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0562 0.5

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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