Detailed information for compound 1112180

Basic information

Technical information
  • TDR Targets ID: 1112180
  • Name: 1-(4-methylphenyl)sulfonyl-5-nitroindole
  • MW: 316.332 | Formula: C15H12N2O4S
  • H donors: 0 H acceptors: 4 LogP: 3.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)n1ccc2c1ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C15H12N2O4S/c1-11-2-5-14(6-3-11)22(20,21)16-9-8-12-10-13(17(18)19)4-7-15(12)16/h2-10H,1H3
  • InChiKey: LNSITYAYVOYMGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-methylphenyl)sulfonyl-5-nitro-indole
  • Oprea1_463472

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 granulosus lamin dm0 0.003 0.0808 0.0671
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.1167 0.1036
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.3246 0.3145
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.1344 0.757
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.8073 0.9157
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Schistosoma mansoni alpha-glucosidase 0.0142 0.721 0.7169
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Schistosoma mansoni hypothetical protein 0.005 0.1917 0.1797
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0835 0.0035
Echinococcus multilocularis heat shock protein 0.0046 0.1728 0.1605
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0835 0.4355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1724 0.1601
Mycobacterium ulcerans heat shock protein 90 0.0043 0.1565 0.4997
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.6 0.6805
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.1917 0.1797
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0182 0.0224
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1728 1
Plasmodium falciparum endoplasmin, putative 0.0034 0.0999 0.0947
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.1728 0.5104
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.6 0.6805
Loa Loa (eye worm) hypothetical protein 0.0107 0.5224 0.5925
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.2985 0.2881
Onchocerca volvulus 0.017 0.8817 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Entamoeba histolytica hypothetical protein 0.0073 0.3246 1
Giardia lamblia Grp94/Hsp90 0.0043 0.1565 0.8967
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.1167 0.3595
Toxoplasma gondii Hsp90 domain-containing protein 0.0176 0.9151 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.004 0.1344 0.757
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0532 0.2434
Entamoeba histolytica hypothetical protein 0.0073 0.3246 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.1167 0.6452
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.1728 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.2985 1
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0808 0.0916
Brugia malayi hypothetical protein 0.0016 0.0013 0.0015
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0532 0.2434
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.2985 1
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.1728 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0043 0.1565 1
Brugia malayi Endoplasmin precursor 0.0046 0.1728 0.196
Treponema pallidum heat shock protein 90 0.0043 0.1565 1
Echinococcus multilocularis lamin 0.003 0.0808 0.0671
Loa Loa (eye worm) hypothetical protein 0.0122 0.6094 0.6911
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Brugia malayi Latrophilin receptor protein 2 0.005 0.1917 0.2175
Schistosoma mansoni hypothetical protein 0.005 0.1917 0.1797
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0835 0.0699
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Echinococcus multilocularis endoplasmin 0.0043 0.1565 0.144
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.2985 0.2881
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.3246 0.3145
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Plasmodium vivax endoplasmin, putative 0.0046 0.1728 0.1757
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Trypanosoma brucei Heat shock protein 83, putative 0.0046 0.1728 1
Brugia malayi MH2 domain containing protein 0.0121 0.6 0.6805
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Schistosoma mansoni alpha glucosidase 0.0037 0.1167 0.1036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1724 0.1601
Echinococcus granulosus heat shock protein 90 0.0046 0.1728 0.1605
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.8528 0.9672
Echinococcus multilocularis heat shock protein 90 0.004 0.1344 0.1215
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.2985 0.2881
Schistosoma mansoni lamin 0.003 0.0808 0.0671
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.1344 0.1215
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.1728 1
Brugia malayi intermediate filament protein 0.003 0.0808 0.0916
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.3246 0.3145
Loa Loa (eye worm) hypothetical protein 0.0122 0.6094 0.6911
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Schistosoma mansoni endoplasmin 0.0046 0.1728 0.1605
Schistosoma mansoni heat shock protein 0.0031 0.0835 0.0699
Onchocerca volvulus 0.0095 0.4539 0.4659
Schistosoma mansoni heat shock protein 0.0046 0.1728 0.1605
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.1728 0.5104
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1167 0.6452
Plasmodium falciparum heat shock protein 90, putative 0.0176 0.9151 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.1167 0.6452
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.1167 0.6452
Echinococcus granulosus lamin 0.003 0.0808 0.0671
Schistosoma mansoni lamin 0.003 0.0808 0.0671
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0835 0.0765
Loa Loa (eye worm) hypothetical protein 0.017 0.8817 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.2985 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.2985 1
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0615 0.2959
Loa Loa (eye worm) endoplasmin 0.0046 0.1728 0.196
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1167 0.6452
Entamoeba histolytica hypothetical protein 0.0073 0.3246 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.1167 0.6452
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.8528 0.8506
Loa Loa (eye worm) hypothetical protein 0.003 0.0808 0.0916
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0043 0.1565 0.4997
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1728 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.1167 0.6452
Echinococcus multilocularis GPCR, family 2 0.005 0.1917 0.1797
Echinococcus granulosus GPCR family 2 0.005 0.1917 0.1797
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.1167 0.1324
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.1167 0.6452
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.2985 0.2881
Schistosoma mansoni intermediate filament proteins 0.003 0.0808 0.0671
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0532 0.0428
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.8528 0.8506
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0568 0.0644
Onchocerca volvulus Huntingtin homolog 0.0122 0.6094 0.66
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.5224 0.5925
Trypanosoma brucei glucosidase, putative 0.0037 0.1167 0.6452
Schistosoma mansoni hypothetical protein 0.005 0.1917 0.1797
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0999 0.5388
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0146 0.0166
Leishmania major hypothetical protein, conserved 0.0025 0.0532 0.1356
Brugia malayi hypothetical protein 0.0025 0.0532 0.0603
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0043 0.1565 0.5
Onchocerca volvulus Huntingtin homolog 0.0122 0.6094 0.66
Loa Loa (eye worm) hypothetical protein 0.0025 0.0532 0.0603
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Echinococcus granulosus heat shock protein 90 0.004 0.1344 0.1215
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0532 0.0428
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Leishmania major heat shock protein, putative 0.0031 0.0835 0.2427
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.1167 0.3293
Schistosoma mansoni hypothetical protein 0.005 0.1917 0.1797
Schistosoma mansoni hypothetical protein 0.019 1 1
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0776 0.088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1724 0.1955
Trichomonas vaginalis heat shock protein, putative 0.004 0.1344 0.757
Brugia malayi hypothetical protein 0.0122 0.6094 0.6911
Brugia malayi Hsp90 protein 0.0031 0.0835 0.0948
Toxoplasma gondii heat shock protein HSP90 0.0046 0.1728 0.1757
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0043 0.1565 0.4997
Trypanosoma cruzi Heat shock protein 83, putative 0.0046 0.1728 1
Echinococcus multilocularis geminin 0.019 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.1917 0.1797
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0615 0.052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1724 0.1601
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1724 0.1955
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.1728 1
Schistosoma mansoni hypothetical protein 0.019 1 1
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0835 0.4355
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Loa Loa (eye worm) intermediate filament protein 0.003 0.0808 0.0916
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0532 0.0428
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.1917 0.1797
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.1344 0.757
Brugia malayi heat shock protein 90 0.0046 0.1728 0.196
Schistosoma mansoni alpha-glucosidase 0.0142 0.721 0.7169
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1724 0.1601
Brugia malayi hypothetical protein 0.0073 0.3246 0.3682
Brugia malayi hypothetical protein 0.017 0.8817 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.8073 0.9157
Echinococcus granulosus intermediate filament protein 0.003 0.0808 0.0671
Trichomonas vaginalis heat shock protein, putative 0.0043 0.1565 0.8967
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.1917 0.1797
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.1167 0.1036
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.8528 0.9672
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1917 0.2175
Plasmodium vivax heat shock protein 86, putative 0.0046 0.1728 0.1757
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.2985 0.3153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1724 0.1601
Plasmodium vivax heat shock protein, putative 0.0176 0.9151 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0835 0.2223
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0532 0.2434
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Trichomonas vaginalis endoplasmin, putative 0.0034 0.0999 0.5388
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0835 0.0699
Schistosoma mansoni hypothetical protein 0.0107 0.5224 0.5153
Plasmodium falciparum heat shock protein 90 0.0046 0.1728 0.1757
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.1167 0.6452
Brugia malayi Cytochrome P450 family protein 0.0026 0.0568 0.0644
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0835 0.0948
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.1167 0.1133
Echinococcus granulosus endoplasmin 0.0043 0.1565 0.144
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.1167 0.6452
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1724 0.1601
Schistosoma mansoni hypothetical protein 0.0073 0.3246 0.3145
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.1917 0.2175
Leishmania major heat shock protein 83-1 0.0046 0.1728 0.5573
Trichomonas vaginalis heat shock protein, putative 0.0046 0.1728 1
Echinococcus multilocularis heat shock protein 90 0.0046 0.1728 0.1605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1724 0.1601
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.1167 0.6452
Trichomonas vaginalis heat shock protein, putative 0.0043 0.1565 0.8967
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.1917 0.2175
Loa Loa (eye worm) heat shock protein 90 0.0046 0.1728 0.196
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0835 0.0765
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.1167 0.3293
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.8073 0.9157
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0808 0.0916
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0146 0.0166
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.8528 0.8506
Loa Loa (eye worm) hypothetical protein 0.0157 0.8073 0.9157
Echinococcus granulosus heat shock protein 0.0046 0.1728 0.1605
Echinococcus multilocularis lamin dm0 0.003 0.0808 0.0671
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0532 0.0428
Schistosoma mansoni heat shock protein 0.0046 0.1728 0.1605
Schistosoma mansoni endoplasmin 0.0046 0.1728 0.1605
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1728 1
Entamoeba histolytica hypothetical protein 0.0073 0.3246 1
Toxoplasma gondii heat shock protein 90, putative 0.0046 0.1728 0.1757
Echinococcus multilocularis musashi 0.003 0.0808 0.0671
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.1167 0.1324
Trypanosoma brucei heat shock protein, putative 0.0046 0.1728 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.2985 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 175.77 ug ml-1 Cytotoxicity against human C8166 cells after 3 days by MTT assay ChEMBL. 20488700

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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