Detailed information for compound 870205

Basic information

Technical information
  • TDR Targets ID: 870205
  • Name: N-[(3-nitrophenyl)methylideneamino]pyridine-4 -carboxamide
  • MW: 270.244 | Formula: C13H10N4O3
  • H donors: 1 H acceptors: 4 LogP: 1.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccncc1)N/N=C/c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+
  • InChiKey: GTORRVVNCWSJKS-OQLLNIDSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-nitrophenyl)methyleneamino]pyridine-4-carboxamide
  • N-[(3-nitrophenyl)methyleneamino]-4-pyridinecarboxamide
  • N-[(3-nitrobenzylidene)amino]isonicotinamide
  • CBDivE_001619
  • Isonicotinic acid [1-(3-nitro-phenyl)-meth-(E)-ylidene]-hydrazide
  • MLS000779495
  • SMR000419672
  • CBDivE_007016
  • AG-670/31515029
  • A1088/0051085

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
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
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 protease II (oligopeptidase B), PtrB 0.0016 0.0097 0.5
Echinococcus granulosus acylamino acid releasing enzyme 0.0016 0.0097 0.0088
Entamoeba histolytica hypothetical protein 0.0043 0.0431 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0507 0.1634
Brugia malayi hypothetical protein 0.0043 0.0431 0.1736
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0016 0.0097 0.0088
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0507 0.0499
Echinococcus granulosus cpg binding protein 0.0037 0.0349 0.034
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0507 0.6604
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0507 0.0499
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0507 0.6604
Loa Loa (eye worm) hypothetical protein 0.0051 0.0527 0.2148
Loa Loa (eye worm) hypothetical protein 0.018 0.209 0.8972
Loa Loa (eye worm) hypothetical protein 0.0016 0.0097 0.027
Schistosoma mansoni cpg binding protein 0.0037 0.0349 0.034
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0701 0.2402
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.02 0.2326 0.2319
Schistosoma mansoni cpg binding protein 0.0035 0.0325 0.0316
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0067 0.0719 0.2473
Loa Loa (eye worm) hypothetical protein 0.018 0.209 0.8972
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0431 0.0422
Loa Loa (eye worm) prolyl oligopeptidase 0.0016 0.0097 0.027
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0016 0.0097 0.0088
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.02 0.2326 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0067 0.0719 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0507 0.6604
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0507 0.6604
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0507 0.6604
Echinococcus granulosus muscleblind protein 0.018 0.209 0.2083
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0507 1
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0507 0.0499
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.02 0.2326 0.2319
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0507 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0097 0.027
Brugia malayi prolyl oligopeptidase family protein 0.0016 0.0097 0.0277
Echinococcus multilocularis prolyl endopeptidase 0.0016 0.0097 0.0088
Echinococcus multilocularis cpg binding protein 0.0037 0.0349 0.034
Brugia malayi CXXC zinc finger family protein 0.0035 0.0325 0.1273
Brugia malayi prolyl oligopeptidase family protein 0.0016 0.0097 0.0277
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0507 0.0499
Plasmodium vivax hypothetical protein, conserved 0.0016 0.0097 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0035 0.0026
Brugia malayi hypothetical protein 0.0051 0.0527 0.2154
Mycobacterium tuberculosis Probable peptidase 0.0016 0.0097 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.02 0.2326 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0016 0.0097 0.0088
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0016 0.0097 0.0088
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0067 0.0719 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0507 0.6604
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0067 0.0719 0.071
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0325 0.1267
Brugia malayi prolyl oligopeptidase family protein 0.0067 0.0719 0.2991
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0431 0.0422
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0067 0.0719 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0507 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.667 0.6667
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0016 0.0097 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0067 0.0719 0.071
Echinococcus granulosus prolyl endopeptidase 0.0016 0.0097 0.0088
Entamoeba histolytica hypothetical protein 0.0043 0.0431 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0016 0.0097 0.1905
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0035 0.0026
Brugia malayi prolyl oligopeptidase family protein 0.0016 0.0097 0.0277
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0097 0.1905
Plasmodium falciparum peptidase, putative 0.0016 0.0097 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0507 0.2063
Brugia malayi Muscleblind-like protein 0.018 0.209 0.8973
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0507 0.0499
Onchocerca volvulus 0.0035 0.0325 0.1024
Loa Loa (eye worm) hypothetical protein 0.0016 0.0097 0.027
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0507 0.6604
Schistosoma mansoni cpg binding protein 0.0037 0.0349 0.034
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0431 0.0422
Echinococcus multilocularis muscleblind protein 0.018 0.209 0.2083
Trypanosoma brucei protein kinase, putative 0.005 0.0507 0.6604
Echinococcus granulosus Dipeptidyl peptidase 9 0.0067 0.0719 0.071
Brugia malayi MAP kinase sur-1 0.005 0.0507 0.2069
Echinococcus multilocularis acylamino acid releasing enzyme 0.0016 0.0097 0.0088
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0507 1
Entamoeba histolytica hypothetical protein 0.0043 0.0431 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0796 0.0788
Brugia malayi prolyl oligopeptidase family protein 0.02 0.2326 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.667 0.6667
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.667 0.6667
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.02 0.2326 0.2319
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.667 0.6667
Schistosoma mansoni hypothetical protein 0.0043 0.0431 0.0422
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0016 0.0097 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0016 0.0097 0.1905
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0223 0.2612 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0067 0.0719 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.209 0.2083
Entamoeba histolytica hypothetical protein 0.0043 0.0431 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0067 0.0719 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0507 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 5 ug ml-1 Antimycobacterial activity against rifampin and isoniazid-susceptible Mycobacterium tuberculosis H37Rv ATCC 27294 after 5 days by Alamar blue assay ChEMBL. 17923172
MIC90 (functional) = 0.39 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by broth dilution method ChEMBL. 19524330
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.5615 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference

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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