Detailed information for compound 1279275

Basic information

Technical information
  • TDR Targets ID: 1279275
  • Name: 3-nitro-2-pyridin-3-yloxypyridine
  • MW: 217.181 | Formula: C10H7N3O3
  • H donors: 0 H acceptors: 4 LogP: 1.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccnc1Oc1cccnc1
  • InChi: 1S/C10H7N3O3/c14-13(15)9-4-2-6-12-10(9)16-8-3-1-5-11-7-8/h1-7H
  • InChiKey: KVDKJMUQUZICCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-nitro-2-(3-pyridyloxy)pyridine
  • 3-nitro-2-pyridin-3-yloxy-pyridine
  • 76594-24-6
  • 5126-06-7
  • MLS000737492
  • SMR000448428
  • NSC117741

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative 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 mansoni ap endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative 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
Trypanosoma brucei gambiense apurinic/apyrimidinic 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
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 chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0556 0.0358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1706 0.4746
Plasmodium falciparum T-complex protein 1 subunit beta 0.0027 0.0556 0.943
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0339 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1706 0.2191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Brugia malayi hypothetical protein 0.0084 0.3227 0.3155
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0569 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0569 0.0246
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0339 0.0024
Schistosoma mansoni hypothetical protein 0.0155 0.6603 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0072 0.2661 0.8043
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0339 0.0316
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.0556 0.0454
Schistosoma mansoni ap endonuclease 0.0023 0.0339 0.0011
Schistosoma mansoni transcription factor LCR-F1 0.0084 0.3227 0.4618
Loa Loa (eye worm) latrophilin receptor protein 2 0.0072 0.2661 0.2409
Schistosoma mansoni ap endonuclease 0.0023 0.0339 0.0011
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0027 0.0556 0.9447
Loa Loa (eye worm) T-complex protein 1 0.0027 0.0556 0.0232
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0569 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0556 0.0358
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1706 0.1421
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0339 0.0024
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0339 0.0316
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1706 0.4746
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0084 0.3227 1
Trypanosoma brucei unspecified product 0.0023 0.0331 0.5823
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0569 1
Trichomonas vaginalis chaperonin, putative 0.0027 0.0556 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0556 0.0358
Schistosoma mansoni hypothetical protein 0.0084 0.3227 0.4618
Leishmania major T-complex protein 1, beta subunit, putative 0.0027 0.0556 0.9447
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0339 0.0024
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0331 0.5823
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0569 1
Brugia malayi Latrophilin receptor protein 2 0.0072 0.2661 0.2582
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0331 0.5823
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.0556 0.0454
Loa Loa (eye worm) hypothetical protein 0.0155 0.6603 0.6486
Schistosoma mansoni hypothetical protein 0.0072 0.2661 0.3714
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0339 0.5948
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0331 0.5823
Entamoeba histolytica hypothetical protein 0.0084 0.3227 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0339 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1706 0.2191
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0339 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1706 0.4746
Loa Loa (eye worm) hypothetical protein 0.0072 0.2661 0.2409
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1706 0.4746
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0027 0.0556 0.943
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0227 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0072 0.2661 0.8043
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0027 0.0556 0.0775
Echinococcus multilocularis GPCR, family 2 0.0072 0.2661 0.8043
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0331 0.0227
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0569 1
Entamoeba histolytica hypothetical protein 0.0084 0.3227 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0339 0.0298
Echinococcus granulosus GPCR family 2 0.0072 0.2661 0.8043
Schistosoma mansoni hypothetical protein 0.0072 0.2661 0.3714
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0027 0.0556 0.0775
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0339 0.0235
Giardia lamblia TCP-1 chaperonin subunit beta 0.0027 0.0556 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0072 0.2661 0.2582
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0339 0.0298
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0027 0.0556 0.0775
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0331 0.0227
Entamoeba histolytica hypothetical protein 0.0084 0.3227 1
Brugia malayi hypothetical protein 0.0028 0.0569 0.0468
Schistosoma mansoni hypothetical protein 0.0072 0.2661 0.3714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1706 0.2191
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0072 0.2661 0.8043
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0072 0.2661 0.8043
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0084 0.3227 1
Entamoeba histolytica hypothetical protein 0.0084 0.3227 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0339 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1706 0.1617
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0339 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0569 1
Toxoplasma gondii t-complex protein beta subunit 0.0027 0.0556 0.943
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0331 0.5823
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0027 0.0556 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0569 1
Leishmania major hypothetical protein, conserved 0.0028 0.0569 1
Schistosoma mansoni hypothetical protein 0.0072 0.2661 0.3714
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0339 0.0316
Brugia malayi latrophilin 2 splice variant baaae 0.0155 0.6603 0.6566
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Brugia malayi Calcitonin receptor-like protein seb-1 0.0227 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0331 0.5823
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0339 0.0298
Loa Loa (eye worm) hypothetical protein 0.0227 1 1
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0027 0.0556 0.9769

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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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