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
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0342 0.1024
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0026 0.0411 0.1073
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0342 0.1024
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0147 0.34 0.778
Brugia malayi beta-lactamase 0.0065 0.1364 0.3575
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0065 0.1364 0.0876
Mycobacterium tuberculosis Probable lipase LipD 0.0065 0.1364 0.0876
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0026 0.0396 0.1157
Mycobacterium tuberculosis Probable lipase LipE 0.0065 0.1364 0.0876
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Brugia malayi Muscleblind-like protein 0.0128 0.2916 0.7653
Mycobacterium ulcerans hypothetical protein 0.0065 0.1364 0.2662
Echinococcus granulosus geminin 0.0145 0.334 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.0094 0.0241
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.001 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Onchocerca volvulus 0.0065 0.1364 0.2537
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0065 0.1364 0.0876
Trichomonas vaginalis penicillin-binding protein, putative 0.0065 0.1364 0.3117
Echinococcus granulosus muscleblind protein 0.0128 0.2916 0.8731
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.1364 0.3117
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0294 0.2138
Echinococcus multilocularis geminin 0.0145 0.334 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0065 0.1364 0.0876
Trichomonas vaginalis set domain proteins, putative 0.0187 0.4369 1
Brugia malayi Latrophilin receptor protein 2 0.0013 0.0094 0.0241
Toxoplasma gondii peptidylprolyl isomerase 0.0026 0.0396 0.2888
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0065 0.1364 0.2662
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0043 0.0814 0.2131
Schistosoma mansoni rotamase 0.0026 0.0411 0.123
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0625 0.1426
Mycobacterium leprae conserved hypothetical protein 0.0065 0.1364 1
Trichomonas vaginalis esterase, putative 0.0065 0.1364 0.3117
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0342 0.1024
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.1364 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0883 0.6467
Loa Loa (eye worm) hypothetical protein 0.0013 0.0094 0.0241
Trichomonas vaginalis rotamase, putative 0.0026 0.0411 0.0935
Mycobacterium ulcerans beta-lactamase 0.0065 0.1364 0.2662
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0035 0.0625 0.4573
Trichomonas vaginalis rotamase, putative 0.0026 0.0396 0.09
Echinococcus granulosus expressed protein 0.0026 0.0411 0.123
Echinococcus granulosus GPCR family 2 0.0013 0.0094 0.0283
Onchocerca volvulus 0.0187 0.4369 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0147 0.34 0.778
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0164 0.381 1
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.001 0.0003 0.0008
Mycobacterium tuberculosis Probable esterase LipL 0.0065 0.1364 0.0876
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0147 0.34 0.778
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Echinococcus multilocularis expressed protein 0.0026 0.0411 0.123
Brugia malayi Pre-SET motif family protein 0.0024 0.0342 0.0891
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0147 0.34 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0035 0.0625 0.1426
Mycobacterium tuberculosis Conserved protein 0.0065 0.1364 0.0876
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0147 0.34 0.8923
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Loa Loa (eye worm) beta-lactamase 0.0065 0.1364 0.3575
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0727 0.2178
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0065 0.1364 0.4083
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0039 0.0727 0.1904
Echinococcus multilocularis muscleblind protein 0.0128 0.2916 0.8731
Brugia malayi Pre-SET motif family protein 0.0164 0.381 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0065 0.1364 0.3117
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.0094 0.0283
Mycobacterium tuberculosis Conserved protein 0.0065 0.1364 0.0876
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.2131
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.001 0.0003 0.0008
Plasmodium vivax hypothetical protein, conserved 0.0065 0.1364 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0342 0.1024
Leishmania major hypothetical protein, conserved 0.0045 0.0883 0.6467
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0065 0.1364 0.3575
Schistosoma mansoni hypothetical protein 0.0145 0.334 1
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
Echinococcus multilocularis 0.001 0.0003 0.0008
Schistosoma mansoni hypothetical protein 0.0145 0.334 1
Plasmodium vivax SET domain protein, putative 0.0024 0.0342 0.2493
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0102 0.2278 0.1842
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0147 0.34 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0727 0.2178
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0094 0.0283
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Loa Loa (eye worm) hypothetical protein 0.0128 0.2916 0.7653
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0026 0.0396 0.2888
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0026 0.0396 0.2888
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0481 0.1256
Brugia malayi Calcitonin receptor-like protein seb-1 0.0043 0.0814 0.2131
Echinococcus granulosus CTD small phosphatase protein like 0.001 0.0003 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0727 0.2178
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.1364 0.3117
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0026 0.0396 0.2888
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0147 0.34 0.778
Brugia malayi Inositol-1 0.0035 0.0625 0.1635
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 granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0094 0.0283
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0026 0.0411 0.1073
Loa Loa (eye worm) hypothetical protein 0.0029 0.0481 0.1256
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0043 0.0814 0.2131
Onchocerca volvulus 0.0065 0.1364 0.2537
Loa Loa (eye worm) hypothetical protein 0.0128 0.2916 0.7653
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0294 0.2138
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0883 0.6467
Echinococcus multilocularis GPCR, family 2 0.0013 0.0094 0.0283
Brugia malayi hypothetical protein 0.0014 0.0105 0.0269
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0294 1
Mycobacterium ulcerans lipase LipD 0.0065 0.1364 0.2662
Echinococcus granulosus inositol monophosphatase 1 0.0035 0.0625 0.1871
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0026 0.0396 0.2888
Brugia malayi hypothetical protein 0.0022 0.0294 0.0764
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0035 0.0625 0.1832
Loa Loa (eye worm) hypothetical protein 0.0022 0.0294 0.0764
Brugia malayi beta-lactamase family protein 0.0065 0.1364 0.3575
Leishmania major hypothetical protein, conserved 0.0065 0.1364 1
Echinococcus multilocularis muscleblind protein 1 0.0128 0.2916 0.8731
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0147 0.34 0.8923
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0625 0.1426
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0411 0.0935
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.1364 0.3117
Mycobacterium tuberculosis Probable hydrolase 0.0065 0.1364 0.0876
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0883 0.2016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0727 0.2178
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0147 0.34 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0039 0.0727 0.1904
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.1364 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0065 0.1364 0.3575
Leishmania major hypothetical protein, conserved 0.0022 0.0294 0.2138
Schistosoma mansoni inositol monophosphatase 0.0035 0.0625 0.1871
Onchocerca volvulus 0.0065 0.1364 0.2537
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.001 0.0003 0.0008
Onchocerca volvulus 0.0147 0.34 0.7593
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0024 0.0342 0.2493
Schistosoma mansoni hypothetical protein 0.0029 0.0481 0.144
Mycobacterium ulcerans esterase/lipase LipP 0.0065 0.1364 0.2662
Schistosoma mansoni hypothetical protein 0.0013 0.0094 0.0283
Echinococcus granulosus beta LACTamase domain containing family member 0.0065 0.1364 0.4083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0727 0.2178
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
Mycobacterium tuberculosis Conserved protein 0.0065 0.1364 0.0876
Echinococcus multilocularis beta LACTamase domain containing family member 0.0065 0.1364 0.4083
Loa Loa (eye worm) hypothetical protein 0.0024 0.0342 0.0891
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0342 0.1024
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0294 0.2138
Mycobacterium leprae Probable lipase LipE 0.0065 0.1364 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0883 0.6467
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0035 0.0625 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0294 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0727 0.2178
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.0094 0.0283
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0294 0.2138
Toxoplasma gondii ABC1 family protein 0.0065 0.1364 1
Loa Loa (eye worm) inositol-1 0.0035 0.0625 0.1635
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0147 0.34 0.778
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0147 0.34 0.778
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0625 0.4573
Loa Loa (eye worm) hypothetical protein 0.0065 0.1364 0.3575
Trypanosoma brucei hypothetical protein, conserved 0.0065 0.1364 1
Brugia malayi beta-lactamase family protein 0.0065 0.1364 0.3575
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0045 0.0883 0.2016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0065 0.1364 0.4083
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0294 0.2138
Schistosoma mansoni inositol monophosphatase 0.0035 0.0625 0.1871
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0342 0.1024

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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