Detailed information for compound 1272792

Basic information

Technical information
  • TDR Targets ID: 1272792
  • Name: 4-nitro-N-[2-oxo-5-(trifluoromethyl)-1H-pyrid in-3-yl]benzenesulfonamide
  • MW: 363.269 | Formula: C12H8F3N3O5S
  • H donors: 2 H acceptors: 6 LogP: 2.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ncc(cc1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(F)(F)F
  • InChi: 1S/C12H8F3N3O5S/c13-12(14,15)7-5-10(11(19)16-6-7)17-24(22,23)9-3-1-8(2-4-9)18(20)21/h1-6,17H,(H,16,19)
  • InChiKey: CLHSKMHNBXRRHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-keto-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-nitro-benzenesulfonamide
  • ZINC03202656
  • MLS000760907
  • SMR000372207

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum lysophospholipase, putative 0.0224 0.8076 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1267 0.1267
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0694 1
Brugia malayi jmjC domain containing protein 0.0043 0.0983 0.0983
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.027
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0088 0.276 0.2306
Loa Loa (eye worm) glutaminase 2 0.0274 1 1
Schistosoma mansoni glutaminase 0.0274 1 1
Giardia lamblia PHD finger protein 15 0.0035 0.0694 0.5
Plasmodium vivax PST-A protein 0.0224 0.8076 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0694 0.011
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1709 0.1188
Brugia malayi RNA binding protein 0.0061 0.1709 0.1709
Loa Loa (eye worm) hypothetical protein 0.0034 0.065 0.065
Schistosoma mansoni hypothetical protein 0.0034 0.065 0.0064
Onchocerca volvulus Alhambra homolog 0.0035 0.0694 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0694 0.0694
Brugia malayi PHD-finger family protein 0.0035 0.0694 0.0694
Loa Loa (eye worm) glutaminase 0.0274 1 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0694 0.0543
Trypanosoma brucei monoglyceride lipase, putative 0.0224 0.8076 1
Brugia malayi TAR-binding protein 0.0061 0.1709 0.1709
Echinococcus multilocularis peregrin 0.0035 0.0694 0.0319
Loa Loa (eye worm) CBP-B 0.0088 0.276 0.276
Echinococcus granulosus tar DNA binding protein 0.0061 0.1709 0.346
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0983 0.1214
Trichomonas vaginalis glutaminase, putative 0.0274 1 1
Leishmania major monoglyceride lipase, putative 0.0224 0.8076 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0224 0.8076 0.5
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2896 0.245
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1709 0.1188
Brugia malayi intermediate filament protein 0.0033 0.059 0.059
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0983 0.0417
Plasmodium falciparum lysophospholipase, putative 0.0224 0.8076 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.065 0.065
Plasmodium falciparum esterase, putative 0.0224 0.8076 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.059 0.059
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0694 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1709 0.1188
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3822 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1709 0.1709
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1709 0.346
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1709 0.1188
Loa Loa (eye worm) hypothetical protein 0.006 0.1676 0.1676
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1232 0.1986
Echinococcus multilocularis CREB binding protein 0.0088 0.276 0.6716
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0224 0.8076 0.5
Brugia malayi Bromodomain containing protein 0.0035 0.0694 0.0694
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1709 0.1709
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3822 1
Trypanosoma brucei monoglyceride lipase, putative 0.0224 0.8076 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0983 0.0417
Mycobacterium tuberculosis Possible lysophospholipase 0.0224 0.8076 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0694 0.0319
Echinococcus granulosus CREB binding protein 0.0088 0.276 0.6716
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.059 0.059
Trypanosoma cruzi monoglyceride lipase, putative 0.0224 0.8076 1
Brugia malayi hypothetical protein 0.0024 0.027 0.027
Loa Loa (eye worm) intermediate filament protein 0.0033 0.059 0.059
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2158 0.2158
Loa Loa (eye worm) hypothetical protein 0.005 0.1267 0.1267
Loa Loa (eye worm) hypothetical protein 0.0035 0.0694 0.0694
Brugia malayi TAZ zinc finger family protein 0.0088 0.276 0.276
Schistosoma mansoni CREB-binding protein 2 0.0088 0.276 0.2306
Echinococcus granulosus CREB binding protein 0.0088 0.276 0.6716
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1267 0.1267
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1232 0.1986
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0694 0.0543
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0983 0.1214
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1709 0.1709
Brugia malayi jmjC domain containing protein 0.0115 0.3822 0.3822
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0694 0.0319
Echinococcus granulosus peregrin 0.0035 0.0694 0.0319
Mycobacterium ulcerans glutaminase 0.0274 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0567 0.0567
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0983 0.0983
Schistosoma mansoni hypothetical protein 0.0035 0.0694 0.011
Loa Loa (eye worm) RNA binding protein 0.0061 0.1709 0.1709
Plasmodium falciparum lysophospholipase, putative 0.0224 0.8076 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.059 0.059
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1709 0.1188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1267 0.1267
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0224 0.8076 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 37.933 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
Potency (functional) 56.2341 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) 79.4328 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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