Detailed information for compound 975284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.333 | Formula: C17H16N4O5
  • H donors: 3 H acceptors: 5 LogP: 1.36 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H](C(=O)N/N=C/c1ccccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H16N4O5/c22-11-15(17(24)20-18-10-12-4-2-1-3-5-12)19-16(23)13-6-8-14(9-7-13)21(25)26/h1-10,15,22H,11H2,(H,19,23)(H,20,24)/b18-10+/t15-/m0/s1
  • InChiKey: FSJYOKYCKPTUTA-ZNBBLSJYSA-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
Loa Loa (eye worm) RGC/RGC protein kinase 0.0099 0.1332 0.337
Echinococcus granulosus glutamate receptor 4 0.0083 0.1099 0.1099
Brugia malayi Receptor family ligand binding region containing protein 0.0099 0.1332 0.3373
Brugia malayi Receptor family ligand binding region containing protein 0.0099 0.1332 0.3373
Brugia malayi Muscleblind-like protein 0.0149 0.2068 0.5243
Echinococcus granulosus receptor type guanylyl cyclase 0.0099 0.1332 0.1332
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0099 0.1332 1
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0182
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.588 0.588
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0159 0.0393
Giardia lamblia DINP protein human, muc B family 0.0019 0.0159 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0193 0.2717 0.4621
Schistosoma mansoni glutamate receptor kainate 0.0193 0.2717 0.4621
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0159 0.0222
Echinococcus multilocularis glutamate receptor 2 0.0276 0.3941 0.3941
Loa Loa (eye worm) hypothetical protein 0.0019 0.0159 0.0388
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0291 0.4174 0.4174
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Echinococcus multilocularis nmda type glutamate receptor 0.0099 0.1332 0.1332
Echinococcus granulosus glutamate NMDA receptor subunit 0.0193 0.2717 0.2717
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0159 0.0222
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0376 0.0944
Loa Loa (eye worm) hypothetical protein 0.0149 0.2068 0.5241
Schistosoma mansoni tyrosine kinase 0.0099 0.1332 0.2266
Schistosoma mansoni hypothetical protein 0.0407 0.588 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0159 1
Brugia malayi Glutamate receptor 2 precursor 0.0276 0.3941 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0376 0.094
Schistosoma mansoni cpg binding protein 0.003 0.0321 0.0546
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0607 0.1528
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Echinococcus granulosus glutamate receptor 2 0.0374 0.5397 0.5397
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0607 0.1532
Schistosoma mansoni protein kinase 0.0099 0.1332 0.2266
Schistosoma mansoni glutamate receptor NMDA 0.0291 0.4174 0.7098
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0182
Echinococcus multilocularis glutamate receptor 2 0.0374 0.5397 0.5397
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0099 0.1332 0.3373
Echinococcus granulosus cpg binding protein 0.003 0.0321 0.0321
Echinococcus granulosus GPCR family 2 0.0016 0.0107 0.0107
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0006 0.0006
Schistosoma mansoni DNA polymerase eta 0.0019 0.0159 0.027
Loa Loa (eye worm) hypothetical protein 0.0149 0.2068 0.5241
Chlamydia trachomatis glutamine binding protein 0.0494 0.7159 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Loa Loa (eye worm) hypothetical protein 0.0083 0.1099 0.2779
Loa Loa (eye worm) glutamate receptor 0.0099 0.1332 0.337
Brugia malayi hypothetical protein 0.0099 0.1332 0.3373
Schistosoma mansoni glutamate receptor kainate 0.0193 0.2717 0.4621
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0159 1
Echinococcus granulosus muscleblind protein 0.0149 0.2068 0.2068
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0182
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0099 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Echinococcus granulosus glutamate receptor 2 0.0182 0.2556 0.2556
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0291 0.4174 0.4174
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Echinococcus multilocularis NMDA receptor 0.0193 0.2717 0.2717
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.005 0.0607 0.1528
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0674 0.5
Loa Loa (eye worm) RGC/RGC protein kinase 0.0099 0.1332 0.337
Echinococcus granulosus dnaJ subfamily B 0.0407 0.588 0.588
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0107 0.0261
Echinococcus multilocularis glutamate receptor 4 0.0083 0.1099 0.1099
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0159 0.0222
Onchocerca volvulus 0.0099 0.1332 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0107 0.0107
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0494 0.7159 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0099 0.1332 0.1332
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0159 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0494 0.7159 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0494 0.7159 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0099 0.1332 0.1332
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0159 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0099 0.1332 0.1332
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0159 0.0388
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0291 0.4174 0.4174
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0193 0.2717 0.2717
Echinococcus multilocularis cpg binding protein 0.003 0.0321 0.0321
Echinococcus granulosus dna polymerase eta 0.0019 0.0159 0.0159
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0099 0.1332 0.1332
Schistosoma mansoni hypothetical protein 0.0034 0.0376 0.0639
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0193 0.2717 0.2717
Schistosoma mansoni glutamate receptor kainate 0.0193 0.2717 0.4621
Onchocerca volvulus 0.0099 0.1332 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.077 0.1309
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0099 0.1332 0.337
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Schistosoma mansoni glutamate receptor AMPA 0.0193 0.2717 0.4621
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0374 0.5397 0.5397
Schistosoma mansoni metabotropic glutamate receptor 0.0099 0.1332 0.2266
Brugia malayi Guanylyl cyclase protein 23 0.0099 0.1332 0.3373
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0182
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0107 0.0107
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0107 0.0261
Brugia malayi CXXC zinc finger family protein 0.0029 0.0297 0.0744
Echinococcus multilocularis muscleblind protein 0.0149 0.2068 0.2068
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0291 0.4174 0.4174
Leishmania major extracellular receptor, putative 0.0099 0.1332 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0193 0.2717 0.2717
Echinococcus multilocularis muscleblind protein 1 0.0149 0.2068 0.2068
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0193 0.2717 0.2717
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.0257
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0193 0.2717 0.2717
Brugia malayi Metabotropic glutamate receptor precursor. 0.0099 0.1332 0.3373
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Echinococcus granulosus atrial natriuretic peptide receptor 0.0099 0.1332 0.1332
Echinococcus multilocularis receptor type guanylyl cyclase 0.0099 0.1332 0.1332
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0159 0.0222
Loa Loa (eye worm) hypothetical protein 0.0083 0.1099 0.2779
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0099 0.1332 0.337
Schistosoma mansoni cpg binding protein 0.0029 0.0297 0.0505
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0159 0.0159
Schistosoma mansoni hypothetical protein 0.0193 0.2717 0.4621
Echinococcus granulosus glutamate receptor 1 0.0083 0.1099 0.1099
Loa Loa (eye worm) hypothetical protein 0.0099 0.1332 0.337
Loa Loa (eye worm) RGC/RGC protein kinase 0.0099 0.1332 0.337
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0276 0.3941 0.3941
Schistosoma mansoni ATP-binding cassette transporter 0.0193 0.2717 0.4621
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0193 0.2717 0.2717
Echinococcus multilocularis GPCR, family 2 0.0016 0.0107 0.0107
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0107 0.0257
Echinococcus granulosus glutamate receptor subunit protein glur 0.0276 0.3941 0.3941
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0107 0.0107
Brugia malayi metabotropic glutamate receptor type 2 0.0099 0.1332 0.3373
Entamoeba histolytica hypothetical protein 0.0099 0.1332 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0607 0.1532
Echinococcus granulosus tyrosine kinase 0.0099 0.1332 0.1332
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0297 0.074
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0291 0.4174 0.4174
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0159 0.027
Trypanosoma cruzi extracellular receptor, putative 0.0099 0.1332 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0159 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0159 0.027
Echinococcus multilocularis tyrosine kinase 0.0099 0.1332 0.1332
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0159 0.0393
Schistosoma mansoni metabotropic glutamate receptor 0.0099 0.1332 0.2266
Echinococcus multilocularis glutamate receptor 2 0.0182 0.2556 0.2556
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0291 0.4174 0.4174
Loa Loa (eye worm) hypothetical protein 0.0083 0.1099 0.2779
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0107 0.0107
Schistosoma mansoni glutamate receptor AMPA 0.0193 0.2717 0.4621
Trypanosoma brucei unspecified product 0.0019 0.0159 1
Echinococcus granulosus nmda type glutamate receptor 0.0099 0.1332 0.1332
Brugia malayi Glutamate receptor 1 precursor 0.0276 0.3941 1
Loa Loa (eye worm) glutamate receptor 2 0.0193 0.2717 0.6889
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0159 1
Schistosoma mansoni cpg binding protein 0.003 0.0321 0.0546
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0159 0.0159
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0494 0.7159 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0159 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0494 0.7159 1
Loa Loa (eye worm) glutamate receptor 1 0.0276 0.3941 1
Echinococcus multilocularis nmda type glutamate receptor 0.0686 1 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0099 0.1332 0.337
Schistosoma mansoni tyrosine kinase 0.0099 0.1332 0.2266
Echinococcus granulosus dna polymerase kappa 0.0019 0.0159 0.0159
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0686 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0006 0.0006
Echinococcus multilocularis dna polymerase eta 0.0019 0.0159 0.0159
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0374 0.5397 0.5397

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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