Detailed information for compound 1860756

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.33 | Formula: C17H14N6O5
  • H donors: 4 H acceptors: 5 LogP: 1.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1ccc(cc1)c1onc(c1)c1cc(ccc1[N+](=O)[O-])/C(=N/O)/N)\N
  • InChi: 1S/C17H14N6O5/c18-16(20-24)10-3-1-9(2-4-10)15-8-13(22-28-15)12-7-11(17(19)21-25)5-6-14(12)23(26)27/h1-8,24-25H,(H2,18,20)(H2,19,21)
  • InChiKey: RYBVVRUZFDFYSN-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
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.1364 1
Echinococcus multilocularis muscleblind protein 1 0.0128 0.2916 0.8731
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.1364 0.3117
Loa Loa (eye worm) hypothetical protein 0.0128 0.2916 0.7653
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.1364 1
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0294 0.2138
Trypanosoma brucei hypothetical protein, conserved 0.0065 0.1364 1
Echinococcus multilocularis geminin 0.0145 0.334 1
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.001 0.0003 0.0008
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0294 0.2138
Mycobacterium tuberculosis Conserved protein 0.0065 0.1364 0.0876
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0342 0.1024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0727 0.2178
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.0094 0.0241
Mycobacterium tuberculosis Probable lipase LipE 0.0065 0.1364 0.0876
Leishmania major hypothetical protein, conserved 0.0045 0.0883 0.6467
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0147 0.34 0.778
Brugia malayi Latrophilin receptor protein 2 0.0013 0.0094 0.0241
Schistosoma mansoni hypothetical protein 0.0029 0.0481 0.144
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0294 0.2138
Mycobacterium ulcerans hypothetical protein 0.0065 0.1364 0.2662
Trichomonas vaginalis rotamase, putative 0.0026 0.0411 0.0935
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0024 0.0342 0.2493
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0039 0.0727 0.1904
Schistosoma mansoni inositol monophosphatase 0.0035 0.0625 0.1871
Schistosoma mansoni hypothetical protein 0.0145 0.334 1
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0294 0.2138
Mycobacterium ulcerans lipase LipD 0.0065 0.1364 0.2662
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0147 0.34 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0147 0.34 0.778
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0065 0.1364 0.3575
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.2131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0727 0.2178
Brugia malayi hypothetical protein 0.0014 0.0105 0.0269
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0065 0.1364 0.2662
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0294 1
Loa Loa (eye worm) beta-lactamase 0.0065 0.1364 0.3575
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.001 0.0003 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0883 0.6467
Echinococcus multilocularis muscleblind protein 0.0128 0.2916 0.8731
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0342 0.1024
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0035 0.0625 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0481 0.1256
Mycobacterium ulcerans beta-lactamase 0.0065 0.1364 0.2662
Echinococcus granulosus GPCR family 2 0.0013 0.0094 0.0283
Schistosoma mansoni rotamase 0.0026 0.0411 0.123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0342 0.1024
Leishmania major hypothetical protein, conserved 0.0022 0.0294 0.2138
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0065 0.1364 0.0876
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0026 0.0396 0.1157
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0147 0.34 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0342 0.1024
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0342 0.1024
Loa Loa (eye worm) hypothetical protein 0.0024 0.0342 0.0891
Mycobacterium tuberculosis Conserved protein 0.0065 0.1364 0.0876
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.0094 0.0283
Trichomonas vaginalis set domain proteins, putative 0.0187 0.4369 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0164 0.381 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0147 0.34 0.778
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0727 0.2178
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.1364 0.3117
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0147 0.34 0.778
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0102 0.2278 0.1842
Trichomonas vaginalis penicillin-binding protein, putative 0.0065 0.1364 0.3117
Plasmodium vivax SET domain protein, putative 0.0024 0.0342 0.2493
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Echinococcus granulosus geminin 0.0145 0.334 1
Mycobacterium tuberculosis Conserved protein 0.0065 0.1364 0.0876
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0342 0.1024
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0321 0.096
Echinococcus multilocularis inositol monophosphatase 1 0.0035 0.0625 0.1871
Loa Loa (eye worm) hypothetical protein 0.0128 0.2916 0.7653
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0035 0.0625 0.1832
Schistosoma mansoni inositol monophosphatase 0.0035 0.0625 0.1871
Echinococcus granulosus muscleblind protein 0.0128 0.2916 0.8731
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0065 0.1364 0.0876
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0065 0.1364 0.3575
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0065 0.1364 0.4083
Brugia malayi Pre-SET motif family protein 0.0164 0.381 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0147 0.34 0.778
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0294 0.2138
Mycobacterium tuberculosis Probable hydrolase 0.0065 0.1364 0.0876
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.0094 0.0283
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0727 0.2178
Plasmodium vivax hypothetical protein, conserved 0.0065 0.1364 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0026 0.0396 0.2888
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0883 0.6467
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0147 0.34 0.8923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0727 0.2178
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0013 0.0094 0.0241
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0411 0.0935
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0625 0.1426
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0625 0.1426
Onchocerca volvulus 0.0065 0.1364 0.2537
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0094 0.0283
Echinococcus granulosus CTD small phosphatase protein like 0.001 0.0003 0.0008
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.001 0.0003 0.0008
Brugia malayi beta-lactamase 0.0065 0.1364 0.3575
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0727 0.2178
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0039 0.0727 0.1904
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0294 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0026 0.0396 0.2888
Echinococcus multilocularis 0.001 0.0003 0.0008
Loa Loa (eye worm) inositol-1 0.0035 0.0625 0.1635
Mycobacterium tuberculosis Probable esterase LipL 0.0065 0.1364 0.0876
Onchocerca volvulus 0.0065 0.1364 0.2537
Brugia malayi hypothetical protein 0.0022 0.0294 0.0764
Brugia malayi beta-lactamase family protein 0.0065 0.1364 0.3575
Trichomonas vaginalis penicillin-binding protein, putative 0.0065 0.1364 0.3117
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.1364 0.3117
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0147 0.34 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0147 0.34 0.778
Brugia malayi Calcitonin receptor-like protein seb-1 0.0043 0.0814 0.2131
Trichomonas vaginalis esterase, putative 0.0065 0.1364 0.3117
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0043 0.0814 0.2131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0727 0.2178
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0026 0.0411 0.1073
Toxoplasma gondii ABC1 family protein 0.0065 0.1364 1
Echinococcus multilocularis expressed protein 0.0026 0.0411 0.123
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0147 0.34 0.8923
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0043 0.0814 0.2131
Loa Loa (eye worm) hypothetical protein 0.0022 0.0294 0.0764
Onchocerca volvulus 0.0065 0.1364 0.2537
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0065 0.1364 0.4083
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0147 0.34 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0026 0.0396 0.2888
Mycobacterium leprae conserved hypothetical protein 0.0065 0.1364 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0065 0.1364 0.4083
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0883 0.6467
Echinococcus granulosus expressed protein 0.0026 0.0411 0.123
Mycobacterium leprae Probable lipase LipE 0.0065 0.1364 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0065 0.1364 0.4083
Leishmania major hypothetical protein, conserved 0.0065 0.1364 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0883 0.2016
Onchocerca volvulus 0.0187 0.4369 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0026 0.0411 0.1073
Brugia malayi Muscleblind-like protein 0.0128 0.2916 0.7653
Mycobacterium ulcerans esterase/lipase LipP 0.0065 0.1364 0.2662
Trichomonas vaginalis rotamase, putative 0.0026 0.0396 0.09
Brugia malayi Pre-SET motif family protein 0.0024 0.0342 0.0891
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0026 0.0396 0.2888
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0035 0.0625 0.4573
Loa Loa (eye worm) hypothetical protein 0.0029 0.0481 0.1256
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0065 0.1364 0.0876
Echinococcus multilocularis GPCR, family 2 0.0013 0.0094 0.0283
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.001 0.0003 0.0008
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0883 0.2016
Brugia malayi Inositol-1 0.0035 0.0625 0.1635
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0094 0.0283
Echinococcus granulosus inositol monophosphatase 1 0.0035 0.0625 0.1871
Schistosoma mansoni hypothetical protein 0.0145 0.334 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0094 0.0241
Toxoplasma gondii peptidylprolyl isomerase 0.0026 0.0396 0.2888
Mycobacterium tuberculosis Probable lipase LipD 0.0065 0.1364 0.0876
Brugia malayi beta-lactamase family protein 0.0065 0.1364 0.3575
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0342 0.1024
Onchocerca volvulus 0.0147 0.34 0.7593
Trichomonas vaginalis inositol monophosphatase, putative 0.0035 0.0625 0.1426
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575

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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