Detailed information for compound 1930281

Basic information

Technical information
  • TDR Targets ID: 1930281
  • Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydrox ynaphthalen-1-yl]benzenesulfonamide
  • MW: 464.58 | Formula: C23H16N2O3S3
  • H donors: 2 H acceptors: 4 LogP: 6.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(Sc2nc3c(s2)cccc3)cc(c2c1cccc2)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C23H16N2O3S3/c26-22-17-11-5-4-10-16(17)19(25-31(27,28)15-8-2-1-3-9-15)14-21(22)30-23-24-18-12-6-7-13-20(18)29-23/h1-14,25-26H
  • InChiKey: YWKQAYXCVAARCZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]benzenesulfonamide
  • N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthyl]benzenesulfonamide
  • N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-naphthalen-1-yl]benzenesulfonamide
  • ZINC08438968
  • AQ-390/40898027
  • ST5404368

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae Rtt109p Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Regulation of mitochondrial network Get druggable targets OG5_136567 All targets in OG5_136567
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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.2927 0.4546
Giardia lamblia Transglutaminase/protease, putative 0.0363 0.644 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0794 0.0792
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.194 0.3013
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0622 0.0966
Mycobacterium tuberculosis Long conserved protein 0.0363 0.644 0.5
Echinococcus granulosus CREB binding protein 0.0107 0.1766 0.1764
Leishmania major hypothetical protein, conserved 0.003 0.0362 0.4993
Schistosoma mansoni hypothetical protein 0.0054 0.0794 0.087
Loa Loa (eye worm) hypothetical protein 0.0016 0.0103 0.0297
Onchocerca volvulus 0.0035 0.044 0.064
Mycobacterium ulcerans hypothetical protein 0.0363 0.644 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0622 0.0818
Trypanosoma brucei glucosidase, putative 0.0044 0.0604 0.9648
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0604 0.9648
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3398 0.3396
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0604 0.177
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0056 0.0053
Schistosoma mansoni cpg binding protein 0.0037 0.0476 0.0508
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0604 0.9648
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0029 0.0027
Mycobacterium ulcerans putative transglutaminase-like protein 0.0363 0.644 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0577 0.0748
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0622 0.0619
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0604 0.9648
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0577 0.9142
Brugia malayi nuclear hormone receptor 0.0012 0.0029 0.0046
Entamoeba histolytica hypothetical protein 0.0042 0.0577 0.9142
Echinococcus multilocularis transcription factor btf3 0.0042 0.0577 0.0575
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0029 0.0079
Brugia malayi hypothetical protein 0.002 0.0165 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0029 0.0046
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0029 0.0079
Mycobacterium tuberculosis Conserved hypothetical protein 0.0363 0.644 0.5
Leishmania major basic transcription factor 3a, putative 0.0042 0.0577 0.9142
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0604 0.0937
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0794 0.0792
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0604 0.9648
Loa Loa (eye worm) hypothetical protein 0.0171 0.2927 0.8614
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0029 0.0027
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0622 0.0818
Schistosoma mansoni transcription factor btf3 0.0042 0.0577 0.0623
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0577 0.9142
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0103 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0029 0.0046
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0604 0.3748
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0029 0.0027
Echinococcus multilocularis CREB binding protein 0.0107 0.1766 0.1764
Echinococcus granulosus cpg binding protein 0.0037 0.0476 0.0473
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0029 0.0027
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0029 0.0027
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0577 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0794 0.2331
Schistosoma mansoni hypothetical protein 0.0117 0.194 0.2173
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0622 0.0674
Loa Loa (eye worm) hypothetical protein 0.0117 0.194 0.5706
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0029 0.0027
Schistosoma mansoni cpg binding protein 0.0037 0.0476 0.0508
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Onchocerca volvulus 0.0363 0.644 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0604 0.0789
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0029 0.0079
Mycobacterium leprae Conserved hypothetical protein 0.0363 0.644 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0029 0.0046
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0103 0.0161
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0604 0.0789
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0622 0.0619
Schistosoma mansoni hypothetical protein 0.0054 0.0794 0.087
Mycobacterium tuberculosis Hypothetical protein 0.0363 0.644 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0029 0.0046
Schistosoma mansoni hypothetical protein 0.0494 0.8823 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0362 0.4993
Brugia malayi MH2 domain containing protein 0.0144 0.2438 0.3786
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0029 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0577 0.0748
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.044 0.1288
Echinococcus granulosus Transglutaminase 0.0363 0.644 0.6439
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0794 0.0792
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.3398 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0029 0.0027
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0029 0.0027
Echinococcus multilocularis GPCR, family 2 0.0054 0.0794 0.0792
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0029 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0029 0.0046
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0794 0.1233
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Loa Loa (eye worm) hypothetical protein 0.0045 0.0622 0.1824
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0029 0.0027
Echinococcus granulosus GPCR family 2 0.0054 0.0794 0.0792
Echinococcus granulosus transcription factor btf3 0.0042 0.0577 0.0575
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0622 0.0818
Mycobacterium tuberculosis Conserved hypothetical protein 0.0363 0.644 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0362 0.4993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0029 0.0027
Echinococcus granulosus CREB binding protein 0.0107 0.1766 0.1764
Brugia malayi CXXC zinc finger family protein 0.0035 0.044 0.0683
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0029 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0029 0.0079
Loa Loa (eye worm) hypothetical protein 0.003 0.0362 0.106
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0029 0.0027
Schistosoma mansoni alpha glucosidase 0.0044 0.0604 0.0653
Schistosoma mansoni hypothetical protein 0.0363 0.644 0.729
Loa Loa (eye worm) CBP-B 0.0107 0.1766 0.5195
Schistosoma mansoni alpha-glucosidase 0.0169 0.2898 0.3262
Schistosoma mansoni CREB-binding protein 2 0.0107 0.1766 0.1975
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0029 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0029 0.0079
Loa Loa (eye worm) hypothetical protein 0.0054 0.0794 0.2331
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0622 0.0619
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0029 0.0079
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0577 0.9142
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1149 0.1274
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0622 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0622 0.0619
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0577 0.9142
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.3398 0.5277
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0604 0.9648
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0107 0.1766 0.1975
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.3398 0.3396
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0622 0.0619
Mycobacterium leprae Conserved hypothetical protein 0.0363 0.644 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0604 0.0601
Echinococcus multilocularis cpg binding protein 0.0037 0.0476 0.0473
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0029 0.0027
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0362 0.4993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0029 0.0027
Brugia malayi beta-NAC-like protein 0.0042 0.0577 0.0897
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0622 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0029 0.0027
Giardia lamblia Hypothetical protein 0.0363 0.644 1
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0577 0.3341
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0794 0.0792
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1006 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0029 0.0046
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0604 0.0789
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0029 0.0027
Trichomonas vaginalis peptide N-glycanase, putative 0.0363 0.644 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0029 0.0046
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3398 0.3396
Mycobacterium ulcerans hypothetical protein 0.0363 0.644 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2438 0.7174
Schistosoma mansoni alpha-glucosidase 0.0169 0.2898 0.3262
Brugia malayi TAZ zinc finger family protein 0.0107 0.1766 0.2743
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0604 0.0789
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Mycobacterium ulcerans transglutaminase family protein 0.0363 0.644 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.0794 0.087
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.2927 0.8614
Echinococcus multilocularis Transglutaminase 0.0363 0.644 0.6439
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0622 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0029 0.0046
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0604 0.0601
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0029 0.0027
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8823 0.8823
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0056 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0029 0.0046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.2927 0.4546
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0029 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0577 0.0748
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0604 0.0789
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0029 0.0046
Brugia malayi nuclear receptor NHR-88 0.0012 0.0029 0.0046
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0029 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0029 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0029 0.0046
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0622 0.0619
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2438 0.7174
Onchocerca volvulus 0.0114 0.1884 0.2893
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0029 0.0079
Brugia malayi hypothetical protein 0.003 0.0362 0.0563
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0622 0.0674
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0622 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0604 0.0789
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0604 0.0789
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0029 0.0046
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0577 0.1693
Schistosoma mansoni hypothetical protein 0.0054 0.0794 0.087
Schistosoma mansoni hypothetical protein 0.0014 0.0056 0.003
Mycobacterium tuberculosis Conserved protein 0.0363 0.644 0.5
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8823 0.8823
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0794 0.1233
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0079
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0604 0.0789
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0604 0.0789
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0622 1
Brugia malayi ecdysteroid receptor 0.0012 0.0029 0.0046
Schistosoma mansoni cpg binding protein 0.0035 0.044 0.0467
Brugia malayi steroid hormone receptor 0.0012 0.0029 0.0046
Brugia malayi Thioredoxin family protein 0.0363 0.644 1
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0577 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K56 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K27 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
IC50 (binding) = 2.6 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CoA-based HTS counter screen assay ChEMBL. 25634295
IC50 (binding) = 9.9 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CPM based HTS assay ChEMBL. 25634295

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

1 literature reference was collected for this gene.

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