Detailed information for compound 1607759

Basic information

Technical information
  • TDR Targets ID: 1607759
  • Name: N-hydroxy-2-(S-methoxy-N-phenylsulfonylsulfin imidoyl)benzeneamine oxide
  • MW: 340.375 | Formula: C13H12N2O5S2
  • H donors: 0 H acceptors: 4 LogP: 4.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/S(=N/S(=O)(=O)c1ccccc1)/c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C13H12N2O5S2/c1-20-21(13-10-6-5-9-12(13)15(16)17)14-22(18,19)11-7-3-2-4-8-11/h2-10H,1H3
  • InChiKey: FQSXCBXRSPJKBF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (NE)-N-[[2-(hydroxy-oxidoamino)phenyl]-methoxy-$l^{4}-sulfanylidene]benzenesulfonamide
  • (NE)-N-[methoxy-(2-nitrophenyl)-$l^{4}-sulfanylidene]benzenesulfonamide
  • N-[methoxy-(2-nitrophenyl)-$l^{4}-sulfanylidene]benzenesulfonamide
  • N-hydroxy-2-(S-methoxy-N-phenylsulfonyl-sulfinimidoyl)benzeneamine oxide
  • (NE)-N-[[2-(hydroxy-oxido-amino)phenyl]-methoxy-$l^{4}-sulfanylidene]benzenesulfonamide
  • NCI60_016827
  • AIDS-139393
  • AIDS139393
  • N-((2-(Hydroxy(oxido)amino)phenyl)(methoxy)-.lambda.~4~-sulfanylidene)benzenesulfonamide
  • NSC648480

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0477 0.0477
Leishmania major T-complex protein 1, beta subunit, putative 0.0023 0.0144 0.0824
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0029 0.0029
Trypanosoma brucei glutaminyl cyclase, putative 0.0113 0.1433 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0707 1 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0113 0.1433 0.1433
Mycobacterium tuberculosis Conserved protein 0.0113 0.1433 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Schistosoma mansoni tar DNA-binding protein 0.005 0.0525 0.0525
Schistosoma mansoni nicalin (M28 family) 0.0113 0.1433 0.1433
Brugia malayi TAR-binding protein 0.005 0.0525 0.0525
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0707 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0211 0.0211
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0029 0.0029
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0211 0.0211
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0477 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0211 0.0211
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0211 0.0211
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0113 0.1433 0.1433
Toxoplasma gondii peptidase, M28 family protein 0.0113 0.1433 1
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0023 0.0144 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1433 0.1433
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0707 1 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0707 1 1
Loa Loa (eye worm) T-complex protein 1 0.0023 0.0144 0.0144
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0477 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0211 0.0211
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0023 0.0144 0.0824
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0211 0.0211
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0015 0.0023 0.0023
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0211 0.0211
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0029 0.0029
Loa Loa (eye worm) TAR-binding protein 0.005 0.0525 0.0525
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0144 0.0144
Plasmodium falciparum T-complex protein 1 subunit beta 0.0023 0.0144 0.5
Echinococcus multilocularis dna polymerase kappa 0.0015 0.0029 0.0029
Onchocerca volvulus Fxna peptidase homolog 0.0113 0.1433 0.1433
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0013 0.0001 0.0001
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0022 0.0022
Schistosoma mansoni intermediate filament proteins 0.0027 0.0204 0.0204
Trypanosoma cruzi glutaminyl cyclase, putative 0.0113 0.1433 1
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0113 0.1433 1
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0023 0.0144 0.5
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0113 0.1433 0.1433
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0023 0.0144 0.0824
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0113 0.1433 0.1433
Schistosoma mansoni tar DNA-binding protein 0.005 0.0525 0.0525
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0211 0.0211
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0211 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0477 0.0477
Trichomonas vaginalis chaperonin, putative 0.0023 0.0144 0.0824
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0707 1 1
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0113 0.1433 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0028 0.0211 0.0211
Schistosoma mansoni tar DNA-binding protein 0.005 0.0525 0.0525
Mycobacterium ulcerans hypothetical protein 0.0113 0.1433 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0204 0.0204
Loa Loa (eye worm) leucyl aminopeptidase 0.0113 0.1433 0.1433
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0211 0.0211
Echinococcus multilocularis tar DNA binding protein 0.005 0.0525 0.0525
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0113 0.1433 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0211 0.0211
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.005 0.0525 0.0525
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0023 0.0023
Schistosoma mansoni Fxna peptidase (M28 family) 0.0113 0.1433 0.1433
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0144 0.0144
Brugia malayi nuclear receptor NHR-88 0.0028 0.0211 0.0211
Onchocerca volvulus 0.0028 0.0211 0.0211
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0211 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0477 0.0477
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0477 0.0477
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0211 0.0211
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0211 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1433 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0023 0.0144 0.0144
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0029 0.0029
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0211 0.0211
Brugia malayi FXNA 0.0113 0.1433 0.1433
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0211 0.0211
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0211 0.0211
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0211 0.0211
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0023 0.0144 0.0824
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0001 0.0001
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0211 0.0211
Loa Loa (eye worm) RNA binding protein 0.005 0.0525 0.0525
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0211 0.0211
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0211 0.0211
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0211 0.0211
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0211 0.0211
Leishmania major glutaminyl cyclase, putative 0.0113 0.1433 1
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0029 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0211 0.0211
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0211 0.0211
Echinococcus multilocularis musashi 0.0027 0.0204 0.0204
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0211 0.0211
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0211 0.0211
Onchocerca volvulus 0.0027 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0211 0.0211
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0015 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Brugia malayi hypothetical protein 0.0015 0.0023 0.0023
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0023 0.0144 0.0144
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0113 0.1433 0.1433
Echinococcus granulosus tar DNA binding protein 0.005 0.0525 0.0525
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0211 0.0211
Brugia malayi leucyl aminopeptidase 0.0113 0.1433 0.1433
Echinococcus granulosus lamin dm0 0.0027 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0015 0.0029 0.0029
Brugia malayi nuclear hormone receptor 0.0028 0.0211 0.0211
Brugia malayi nuclear receptor RXR 0.0015 0.0023 0.0023
Trypanosoma cruzi glutaminyl cyclase, putative 0.0113 0.1433 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0477 0.0477
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0204 0.0204
Brugia malayi hypothetical protein 0.0015 0.0023 0.0023
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0211 0.0211
Echinococcus granulosus intermediate filament protein 0.0027 0.0204 0.0204
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0113 0.1433 0.1433
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Echinococcus multilocularis lamin 0.0027 0.0204 0.0204
Brugia malayi ecdysteroid receptor 0.0028 0.0211 0.0211
Brugia malayi RNA recognition motif domain containing protein 0.005 0.0525 0.0525
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0211 0.0211
Schistosoma mansoni tar DNA-binding protein 0.005 0.0525 0.0525
Echinococcus granulosus dna polymerase eta 0.0015 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0113 0.1433 0.1433
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0211 0.0211
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0211 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1433 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.0023
Schistosoma mansoni tar DNA-binding protein 0.005 0.0525 0.0525
Schistosoma mansoni lamin 0.0027 0.0204 0.0204
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0211 0.0211
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0211 0.0211
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0027 0.0197 0.0197
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0211 0.0211
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0029 0.0029
Onchocerca volvulus 0.0113 0.1433 0.1433
Echinococcus granulosus lamin 0.0027 0.0204 0.0204
Onchocerca volvulus 0.0027 0.0204 0.0204
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0211 0.0211
Leishmania major hypothetical protein, conserved 0.0113 0.1433 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0204 0.0204
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0211 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0211 0.0211
Brugia malayi RNA binding protein 0.005 0.0525 0.0525
Echinococcus multilocularis lamin dm0 0.0027 0.0204 0.0204
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0211 0.0211
Onchocerca volvulus Fxna peptidase homolog 0.0113 0.1433 0.1433
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0144 0.0144
Brugia malayi steroid hormone receptor 0.0028 0.0211 0.0211
Echinococcus granulosus dna polymerase kappa 0.0015 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.0023
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0211 0.0211
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0113 0.1433 0.1433
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0211 0.0211
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0144 0.0144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.0023 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1433 1
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0211 0.0211
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0015 0.0023 0.0023
Giardia lamblia TCP-1 chaperonin subunit beta 0.0023 0.0144 1
Onchocerca volvulus Fxna peptidase homolog 0.0113 0.1433 0.1433
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0211 0.0211
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0211 0.0211
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0023 0.0023
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Brugia malayi nicalin 0.0113 0.1433 0.1433
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0477 0.0477
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0211 0.0211
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0113 0.1433 0.1433
Loa Loa (eye worm) hypothetical protein 0.0028 0.0211 0.0211
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0113 0.1433 0.1433
Toxoplasma gondii hypothetical protein 0.0113 0.1433 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0211 0.0211
Schistosoma mansoni coup transcription factor 0.0028 0.0211 0.0211
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0211 0.0211
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0029 0.0029
Schistosoma mansoni DNA polymerase eta 0.0015 0.0029 0.0029
Schistosoma mansoni lamin 0.0027 0.0204 0.0204
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0477 0.0477
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0211 0.0211
Brugia malayi intermediate filament protein 0.0027 0.0204 0.0204
Echinococcus multilocularis dna polymerase eta 0.0015 0.0029 0.0029
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0015 0.0023 0.0023

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the K-562 Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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