Detailed information for compound 1222372

Basic information

Technical information
  • TDR Targets ID: 1222372
  • Name: N-(6-bicyclo[2.2.1]heptanylmethyl)-4-nitroben zenesulfonamide
  • MW: 310.369 | Formula: C14H18N2O4S
  • H donors: 1 H acceptors: 4 LogP: 3.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCC1CC2CC1CC2
  • InChi: 1S/C14H18N2O4S/c17-16(18)13-3-5-14(6-4-13)21(19,20)15-9-12-8-10-1-2-11(12)7-10/h3-6,10-12,15H,1-2,7-9H2
  • InChiKey: PQPQVZIFCZGIFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-nitro-N-(norbornan-2-ylmethyl)benzenesulfonamide
  • 4-nitro-N-(2-norbornanylmethyl)benzenesulfonamide
  • 4-nitro-N-(2-norbornylmethyl)benzenesulfonamide
  • N-(6-bicyclo[2.2.1]heptanylmethyl)-4-nitro-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GPCR family 2 0.0019 0.0324 0.0929
Loa Loa (eye worm) hypothetical protein 0.0069 0.3488 0.3488
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1467 0.5295
Entamoeba histolytica hypothetical protein 0.0043 0.1879 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1467 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.2771 0.2859
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0324 0.0929
Schistosoma mansoni hypothetical protein 0.0043 0.1879 0.5386
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.2771 0.7944
Loa Loa (eye worm) hypothetical protein 0.0069 0.3488 0.3488
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2771 0.7944
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0014 0 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0069 0.3488 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2946 0.304
Brugia malayi SWIRM domain containing protein 0.0075 0.3858 0.3981
Chlamydia trachomatis protoporphyrinogen oxidase 0.0014 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0929
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0324 0.0929
Brugia malayi Inositol-1 0.0037 0.1467 0.1514
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0324 0.0334
Loa Loa (eye worm) hypothetical protein 0.0019 0.0324 0.0324
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1467 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2771 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0166 0.9691 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.122 0.4404
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0929
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0929
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0014 0 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0014 0 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.2524 0.2524
Entamoeba histolytica hypothetical protein 0.0043 0.1879 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.1467 0.4206
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0 0.5
Onchocerca volvulus CoRest homolog 0.0171 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.2771 1
Loa Loa (eye worm) hypothetical protein 0.002 0.037 0.037
Schistosoma mansoni inositol monophosphatase 0.0037 0.1467 0.4206
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.1467 0.4206
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.1467 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.122 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.2771 1
Entamoeba histolytica hypothetical protein 0.0043 0.1879 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2771 0.7944
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0324 0.0929
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.1467 0.4206
Loa Loa (eye worm) hypothetical protein 0.0166 0.9691 0.9691
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2946 0.2946
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0014 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.0324 0.0929
Echinococcus granulosus lysine specific histone demethylase 1A 0.0069 0.3488 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0324 0.0324
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.1467 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0324 0.0929
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.037 0.0382
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1467 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2771 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1879 0.5386
Loa Loa (eye worm) hypothetical protein 0.006 0.2946 0.2946
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1732 0.1788
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0324 0.0334
Loa Loa (eye worm) inositol-1 0.0037 0.1467 0.1467
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1879 0.5386
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1467 1
Brugia malayi hypothetical protein 0.0043 0.1879 0.1939
Entamoeba histolytica hypothetical protein 0.0043 0.1879 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2946 0.304
Loa Loa (eye worm) hypothetical protein 0.0075 0.3858 0.3858
Loa Loa (eye worm) hypothetical protein 0.0041 0.1732 0.1732
Schistosoma mansoni hypothetical protein 0.0041 0.1732 0.4967
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0324 0.0929
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.1467 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0069 0.3488 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.1467 0.5295
Plasmodium vivax hypothetical protein, conserved 0.0014 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0014 0 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1467 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1879 0.5386

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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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