Detailed information for compound 1859130

Basic information

Technical information
  • TDR Targets ID: 1859130
  • Name: 3-nitro-4-(2-(1-pyridin-3-ylethylidene)hydraz inyl)benzenesulfonamide
  • MW: 335.338 | Formula: C13H13N5O4S
  • H donors: 2 H acceptors: 5 LogP: 1.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cc(ccc1N/N=C(/c1cccnc1)\C)S(=O)(=O)N
  • InChi: 1S/C13H13N5O4S/c1-9(10-3-2-6-15-8-10)16-17-12-5-4-11(23(14,21)22)7-13(12)18(19)20/h2-8,17H,1H3,(H2,14,21,22)/b16-9+
  • InChiKey: HTFFMOGMGQWPEO-CXUHLZMHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-nitro-4-((2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl)benzenesulfonamide
  • 3-nitro-4-[N'-[1-(3-pyridyl)ethylidene]hydrazino]benzenesulfonamide
  • 3-nitro-4-[(N'E)-N'-[1-(3-pyridyl)ethylidene]hydrazino]benzenesulfonamide
  • T0505-1359

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0262 1
Schistosoma mansoni ap endonuclease 0.0023 0.0262 0.0731
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1539 0.1427
Echinococcus granulosus muscleblind protein 0.018 1 1
Schistosoma mansoni zinc finger protein 0.0024 0.0319 0.0891
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.3312 0.3223
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0177 0.0046
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.3312 0.3223
Schistosoma mansoni hypothetical protein 0.0025 0.0398 0.1112
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0262 0.0133
Loa Loa (eye worm) hypothetical protein 0.0046 0.1721 0.1611
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0262 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0131 0.0366
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0262 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0398 0.0271
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0262 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0131 0.0366
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0262 0.0133
Echinococcus multilocularis zinc finger protein 0.0024 0.0319 0.0191
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0262 1
Brugia malayi MH2 domain containing protein 0.0144 0.7763 0.7703
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.054 0.151
Toxoplasma gondii exonuclease III APE 0.0023 0.0262 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0131 0.0366
Loa Loa (eye worm) hypothetical protein 0.0052 0.204 0.1934
Echinococcus granulosus zinc finger protein 0.0024 0.0319 0.0191
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0262 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.054 0.0415
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1539 0.1427
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7763 0.7733
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7763 0.7733
Echinococcus multilocularis muscleblind protein 0.018 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0262 0.0731
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0262 0.0133
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.054 0.0415
Brugia malayi Bromodomain containing protein 0.0091 0.4453 0.4304
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0262 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1897 0.179
Schistosoma mansoni bromodomain containing protein 0.0076 0.3579 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0262 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0262 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0262 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0262 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.4134 0.4056
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0131 0.0366
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0262 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0262 1
Brugia malayi PHD-finger family protein 0.003 0.0717 0.0467
Brugia malayi Bromodomain containing protein 0.0046 0.1715 0.1493
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0262 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 155.135 uM PubChem BioAssay. Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0024 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) 2.5119 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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