Detailed information for compound 870311

Basic information

Technical information
  • TDR Targets ID: 870311
  • Name: (4-nitrophenyl) pyridine-3-carboxylate
  • MW: 244.203 | Formula: C12H8N2O4
  • H donors: 0 H acceptors: 4 LogP: 2.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)Oc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C12H8N2O4/c15-12(9-2-1-7-13-8-9)18-11-5-3-10(4-6-11)14(16)17/h1-8H
  • InChiKey: BRFXCDOSNZVQAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-pyridinecarboxylic acid (4-nitrophenyl) ester
  • nicotinic acid (4-nitrophenyl) ester
  • EU-0000751
  • Nicotinic acid, 4-nitrophenyl ester
  • 4-nitrophenyl nicotinate
  • MLS000584188
  • SMR000203351
  • BB_SC-3183
  • Oprea1_090520
  • ZINC00241608

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor 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_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.103 0.1278
Loa Loa (eye worm) RecQ helicase 0.0029 0.0825 0.0933
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0141 0.0188
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0218 0.011
Echinococcus multilocularis geminin 0.0205 0.7094 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1077 0.1221
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4936 0.563
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0825 0.0499
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0825 0.0499
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0218 0.011
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0141 0.0152
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8761 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1077 0.1509
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0218 0.1959
Echinococcus granulosus geminin 0.0205 0.7094 1
Schistosoma mansoni hypothetical protein 0.0205 0.7094 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0218 0.011
Brugia malayi MH2 domain containing protein 0.0144 0.4936 0.5563
Schistosoma mansoni smad1 5 8 and 0.001 0.0141 0.0188
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0343 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0141 0.0152
Loa Loa (eye worm) hypothetical protein 0.0146 0.4999 0.5702
Schistosoma mansoni DNA helicase recq1 0.0012 0.0218 0.0296
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.07 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1077 0.1509
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0218 0.011
Brugia malayi Pre-SET motif family protein 0.0036 0.1077 0.1086
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.049 0.4551
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0008 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0482 0.4431
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.1077 0.1346
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0218 0.0089
Schistosoma mansoni hypothetical protein 0.0205 0.7094 1
Plasmodium vivax SET domain protein, putative 0.0036 0.1077 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0343 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0218 0.0239
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0608 0.0846
Echinococcus granulosus bloom syndrome protein 0.0029 0.0825 0.0984
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.1077 0.1346
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0825 0.0794
Schistosoma mansoni smad 0.001 0.0141 0.0188
Loa Loa (eye worm) Smad1 0.001 0.0141 0.0152
Loa Loa (eye worm) hypothetical protein 0.0012 0.0218 0.0239
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0825 0.0984
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0218 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0218 0.0089
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.1077 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0218 0.0296
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1077 0.1509
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0343 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.1077 0.1509
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Entamoeba histolytica recQ family DNA helicase 0.0006 0.0008 0.0241
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0218 0.1959
Schistosoma mansoni smad1 5 8 and 0.001 0.0141 0.0188
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.1077 0.1346
Schistosoma mansoni smad1 5 8 and 0.001 0.0141 0.0188
Brugia malayi Pre-SET motif family protein 0.0251 0.8761 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4936 0.563
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0343 1
Schistosoma mansoni Smad4 0.001 0.0141 0.0188

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 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) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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