Detailed information for compound 1342074

Basic information

Technical information
  • TDR Targets ID: 1342074
  • Name: 1-(3-nitrophenyl)-3-pyridin-3-ylurea
  • MW: 258.233 | Formula: C12H10N4O3
  • H donors: 2 H acceptors: 4 LogP: 1.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccnc1)Nc1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C12H10N4O3/c17-12(15-10-4-2-6-13-8-10)14-9-3-1-5-11(7-9)16(18)19/h1-8H,(H2,14,15,17)
  • InChiKey: BSNASVNTOPZGPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-nitrophenyl)-3-(3-pyridyl)urea
  • 1-(3-nitrophenyl)-3-pyridin-3-yl-urea
  • ZINC00040583
  • STK129510
  • Oprea1_614733
  • MLS001183838
  • SMR000502938

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative 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 knowlesi ATP-dependent DNA helicase Q1, putative 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
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical 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
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative 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
Brugia malayi Bloom's syndrome protein homolog 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
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
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 cruzi ATP-dependent DEAD/H 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
Cryptosporidium hominis DEAD/DEAH box helicase 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Theileria parva DNA helicase, 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
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative 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
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii ATP-dependent DNA helicase recQ-related 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
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 knowlesi ADP-dependent DNA helicase RecQ, 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 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 yoelii ATP-dependent DNA helicase-related 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
Echinococcus multilocularis bloom syndrome protein 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
Treponema pallidum ATP-dependent DNA helicase 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
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Candida albicans DNA helicase 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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 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
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
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0161 0.0069
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0161 0.0069
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0436 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.147
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0161 0.0984
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Schistosoma mansoni DNA helicase recq1 0.0012 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0161 0.057
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.147
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0508 0.042
Schistosoma mansoni blooms syndrome DNA helicase 0.0006 0.0041 0.0041
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0136 0.0044
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0233 0.455
Entamoeba histolytica recQ family helicase, putative 0.0006 0.0036 0.1558
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0136 0.0331
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0161 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0136 0.0044
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1418 0.1418
Brugia malayi CXXC zinc finger family protein 0.0035 0.0624 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0161 0.042
Echinococcus granulosus cpg binding protein 0.0037 0.0665 0.0578
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.147
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0077 0.147
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.147
Schistosoma mansoni DNA helicase recq5 0.0012 0.0161 0.0161
Schistosoma mansoni cpg binding protein 0.0035 0.0624 0.0624
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0161 0.0069
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0508 0.7637
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1258 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0161 0.3684
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0233 0.5
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0233 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0092 0.0092
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0161 0.0069
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0161 0.0984
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0317 1
Loa Loa (eye worm) RecQ helicase 0.0029 0.0508 0.1637
Onchocerca volvulus 0.0035 0.0624 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.0077 0.147
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0003 0.0000000019918
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0161 0.057
Loa Loa (eye worm) hypothetical protein 0.0146 0.2895 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0665 0.0578
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0018 0.0018
Entamoeba histolytica recQ family DNA helicase 0.0006 0.0041 0.1762
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0233 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0312 0.2226
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0624 0.2044
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0233 1
Schistosoma mansoni cpg binding protein 0.0037 0.0665 0.0665
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0384 0.0384
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0077 0.147
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0508 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0077 0.147
Schistosoma mansoni cpg binding protein 0.0037 0.0665 0.0665
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.147
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0041 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0077 0.147
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0508 1
Echinococcus granulosus bloom syndrome protein 0.0029 0.0508 0.042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0161 0.042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 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) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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

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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