Detailed information for compound 1020006

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 77.0195 | Formula: HN2O3-
  • H donors: 1 H acceptors: 3 LogP: 0.45 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON=[N+]([O-])[O-]
  • InChi: 1S/HN2O3/c3-1-2(4)5/h(H-,1,3,4,5)/q-1
  • InChiKey: FIGQZYWRRRHPCS-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
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0474 0.054 0.0513
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0162 0.0149 0.0319
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.0026 0.0213
Plasmodium falciparum thioredoxin reductase 0.0085 0.0052 0.5669
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.0029 0.0408
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0333 0.0364 0.0336
Loa Loa (eye worm) glutathione reductase 0.0085 0.0052 0.0732
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0013 0.0028
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0216 0.0216 0.0187
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.0029 0.0062
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0471 0.0537 0.0509
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0093 0.0062 0.0873
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0194 0.0189 0.016
Brugia malayi Integrin beta pat-3 precursor 0.0612 0.0714 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0085 0.0052 0.0023
Schistosoma mansoni hypothetical protein 0.0377 0.0419 0.0896
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0096 0.0067 0.0932
Mycobacterium tuberculosis Probable oxidoreductase 0.0216 0.0216 0.0187
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0019 0.0261
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0194 0.0189 0.016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0026 0.0055
Mycobacterium tuberculosis Probable reductase 0.0194 0.0189 0.016
Loa Loa (eye worm) RNA binding protein 0.0068 0.0031 0.0429
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0162 0.0149 0.1162
Plasmodium vivax glutathione reductase, putative 0.0085 0.0052 0.5669
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0012 0.017
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0162 0.0149 1
Echinococcus granulosus microtubule associated protein 2 0.0738 0.0872 0.7254
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0012 0.0102
Echinococcus granulosus cysteinyl tRNA synthetase 0.0117 0.0092 0.0676
Brugia malayi Thioredoxin reductase 0.0085 0.0052 0.0732
Echinococcus granulosus neuropeptide s receptor 0.0997 0.1197 1
Brugia malayi TAR-binding protein 0.0068 0.0031 0.0429
Chlamydia trachomatis transglycolase/transpeptidase 0.0672 0.0789 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.0235 0.1883
Echinococcus granulosus L aminoadipate semialdehyde 0.0096 0.0067 0.0459
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0023 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0031 0.0066
Loa Loa (eye worm) hypothetical protein 0.0093 0.0062 0.0873
Trichomonas vaginalis set domain proteins, putative 0.0505 0.058 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0005 0.001
Loa Loa (eye worm) hypothetical protein 0.0054 0.0013 0.0183
Echinococcus granulosus thioredoxin glutathione reductase 0.0086 0.0054 0.035
Echinococcus granulosus tumor protein p63 0.0367 0.0407 0.333
Echinococcus granulosus ubiquitin specific protease 41 0.0162 0.0149 0.1154
Mycobacterium tuberculosis Probable dehydrogenase 0.0194 0.0189 0.016
Echinococcus multilocularis tumor protein p63 0.0367 0.0407 0.3398
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0031 0.0429
Loa Loa (eye worm) hypothetical protein 0.0162 0.0149 0.2085
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0431 0.0486 0.0458
Schistosoma mansoni lipoxygenase 0.0128 0.0107 0.0228
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0216 0.0216 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0012 0.0026
Loa Loa (eye worm) glutaminase 2 0.0269 0.0283 0.3959
Loa Loa (eye worm) thioredoxin reductase 0.0085 0.0052 0.0732
Loa Loa (eye worm) hypothetical protein 0.0117 0.0092 0.1291
Schistosoma mansoni hypothetical protein 0.0047 0.0005 0.001
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0117 0.0092 1
Brugia malayi hypothetical protein 0.0093 0.0062 0.0873
Plasmodium falciparum cysteine--tRNA ligase 0.0117 0.0092 1
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0117 0.0092 0.5131
Leishmania major DNA polymerase eta, putative 0.0069 0.0032 0.0277
Onchocerca volvulus 0.0096 0.0067 0.1076
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0128 0.0107 0.089
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0117 0.0092 0.1291
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0096 0.0067 0.0143
Schistosoma mansoni microtubule-associated protein tau 0.0738 0.0872 0.1866
Schistosoma mansoni DNA polymerase eta 0.0069 0.0032 0.007
Loa Loa (eye worm) hypothetical protein 0.0064 0.0026 0.0358
Plasmodium vivax thioredoxin reductase, putative 0.0085 0.0052 0.5669
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0005 0.0066
Treponema pallidum hypothetical protein 0.0156 0.0142 0.0559
Echinococcus multilocularis thioredoxin glutathione reductase 0.0086 0.0054 0.0449
Brugia malayi ImpB/MucB/SamB family protein 0.0069 0.0032 0.0455
Echinococcus granulosus integrin beta 2 0.0454 0.0515 0.4243
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0117 0.0092 0.0063
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0128 0.0107 0.0797
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0156 0.0142 0.0113
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0162 0.0149 0.1154
Treponema pallidum penicillin-binding protein (pbp-2) 0.0474 0.054 0.5028
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0162 0.0149 1
Plasmodium vivax cysteine--tRNA ligase, putative 0.0117 0.0092 1
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0671 0.0787 0.076
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0026 0.0055
Echinococcus multilocularis ubiquitin specific protease 41 0.0162 0.0149 0.1244
Schistosoma mansoni integrin beta subunit 0.0361 0.0398 0.0852
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0194 0.0189 0.016
Treponema pallidum penicillin-binding protein (pbp-1) 0.0672 0.0789 0.7821
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0431 0.0486 0.0349
Trypanosoma brucei trypanothione reductase 0.0085 0.0052 0.17
Loa Loa (eye worm) hypothetical protein 0.0069 0.0032 0.0455
Brugia malayi glutathione reductase 0.0085 0.0052 0.0732
Loa Loa (eye worm) hypothetical protein 0.0231 0.0235 0.3294
Schistosoma mansoni glutaminase 0.0269 0.0283 0.0605
Loa Loa (eye worm) integrin beta-2 0.0612 0.0714 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0194 0.0189 0.016
Echinococcus multilocularis neuropeptide receptor A26 0.0997 0.1197 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.094 0.1126 0.9402
Echinococcus granulosus dna polymerase eta 0.0069 0.0032 0.0171
Brugia malayi hypothetical protein 0.0231 0.0235 0.3294
Leishmania major cysteinyl-tRNA synthetase, putative 0.0117 0.0092 0.5266
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.3766 0.4672 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0026 0.0213
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0117 0.0092 0.5131
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0672 0.0789 1
Trypanosoma cruzi trypanothione reductase, putative 0.0085 0.0052 0.17
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0031 0.0429
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0168 0.0156 0.0127
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.016 0.0146 0.0117
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0117 0.0092 0.1291
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0026 0.0055
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0026 0.2769
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0031 0.0066
Onchocerca volvulus 0.0064 0.0026 0.0363
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0117 0.0092 0.077
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0031 0.0256
Onchocerca volvulus 0.0054 0.0013 0.0146
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0117 0.0092 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0162 0.0149 0.1162
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0156 0.0142 0.0113
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.8011 1 1
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0168 0.0156 0.0014
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0162 0.0149 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0012 0.0102
Plasmodium falciparum glutathione reductase 0.0085 0.0052 0.5669
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0333 0.0364 0.0336
Schistosoma mansoni hypothetical protein 0.0377 0.0419 0.0896
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0162 0.0149 0.1244
Brugia malayi Pre-SET motif family protein 0.0064 0.0026 0.0358
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0162 0.0149 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0029 0.0143
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0685 0.0805 0.1723
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0162 0.0149 1
Brugia malayi Pre-SET motif family protein 0.0444 0.0503 0.7042
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.0235 0.1965
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0474 0.054 0.0404
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0444 0.0503 0.7042
Brugia malayi RNA binding protein 0.0068 0.0031 0.0429
Echinococcus multilocularis dna polymerase eta 0.0069 0.0032 0.0271
Echinococcus multilocularis neuropeptide s receptor 0.0997 0.1197 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0026 0.0055
Plasmodium falciparum cysteine--tRNA ligase 0.0117 0.0092 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0333 0.0364 0.0225
Echinococcus granulosus geminin 0.0377 0.0419 0.3429
Echinococcus multilocularis geminin 0.0377 0.0419 0.3496
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0026 0.0113
Onchocerca volvulus 0.0505 0.058 1
Plasmodium vivax SET domain protein, putative 0.0064 0.0026 0.2769
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0117 0.0092 0.5131
Treponema pallidum penicillin-binding protein (pbp-3) 0.0827 0.0984 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0471 0.0537 0.0509
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0029 0.0244
Echinococcus granulosus tar DNA binding protein 0.0068 0.0031 0.0156
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0162 0.0149 0.1154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0012 0.0026
Brugia malayi Kelch motif family protein 0.0093 0.0062 0.0873
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0031 0.0066
Toxoplasma gondii thioredoxin reductase 0.0085 0.0052 0.5669
Schistosoma mansoni lipoxygenase 0.009 0.0058 0.0124
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0031 0.0429
Onchocerca volvulus 0.0117 0.0092 0.1522
Trichomonas vaginalis conserved hypothetical protein 0.0474 0.054 0.9191
Trichomonas vaginalis glutaminase, putative 0.0269 0.0283 0.3907
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0012 0.0026
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0216 0.0216 0.0075
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0117 0.0092 0.0197
Echinococcus multilocularis microtubule associated protein 2 0.0738 0.0872 0.7282
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0471 0.0537 0.04
Loa Loa (eye worm) hypothetical protein 0.0096 0.0067 0.0932
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0162 0.0149 0.2085
Echinococcus multilocularis integrin beta 2 0.0454 0.0515 0.4301
Chlamydia trachomatis transglycolase/transpeptidase 0.0332 0.0362 0.3865
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0162 0.0149 0.1162
Echinococcus granulosus neuropeptide receptor A26 0.0997 0.1197 1
Loa Loa (eye worm) glutaminase 0.0269 0.0283 0.3959
Leishmania major trypanothione reductase 0.0085 0.0052 0.193
Echinococcus granulosus leucyl tRNA synthetase 0.0117 0.0092 0.0676
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0031 0.0066
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.8011 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0162 0.0149 0.1244
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0162 0.0149 0.0319
Echinococcus multilocularis L aminoadipate semialdehyde 0.0096 0.0067 0.0556
Mycobacterium ulcerans glutaminase 0.0269 0.0283 0.0254
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0162 0.0149 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0194 0.0189 0.0048
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0012 0.017
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0031 0.0066
Brugia malayi glutaminase DH11.1 0.0269 0.0283 0.3959
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0431 0.0486 0.0458

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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