Detailed information for compound 1710172

Basic information

Technical information
  • TDR Targets ID: 1710172
  • Name: N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl )-4-methylbenzenesulfonamide
  • MW: 422.454 | Formula: C22H18N2O5S
  • H donors: 2 H acceptors: 4 LogP: 4.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NS(=O)(=O)c2ccc(cc2)C)c2c(c1N)C(=O)c1c(C2=O)cccc1
  • InChi: 1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3
  • InChiKey: BXIGAWRFDMDLTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-amino-3-methoxy-9,10-dioxo-1-anthryl)-4-methyl-benzenesulfonamide
  • N-(4-amino-3-methoxy-9,10-dioxo-1-anthryl)-4-methylbenzenesulfonamide
  • N-(4-amino-9,10-diketo-3-methoxy-1-anthryl)-4-methyl-benzenesulfonamide
  • N-(4-amino-3-methoxy-9,10-dioxo-anthracen-1-yl)-4-methyl-benzenesulfonamide
  • 12223-43-7
  • 81-68-5
  • NSC164933
  • Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-4-methyl-
  • C.I. Disperse Red 86 (8CI)
  • EINECS 201-369-2
  • Eastman Polyester Pink R-LSH
  • Eastman Polyester Pink RL
  • Esterophile Light Pink R3L
  • N-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)-4-methylbenzenesulphonamide
  • NSC 164933
  • Serilene Pink GLS
  • Terasil Brilliant Pink 2GL
  • p-Toluenesulfonamide, N-(4-amino-3-methoxy-1-anthraquinonyl)-
  • C.I. Disperse Red 86
  • 1-Amino-2-methoxy-4-p-tolylsulfonamido-anthraquinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
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
Loa Loa (eye worm) RecQ helicase 0.0029 0.108 0.1014
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0218 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0218 0.0146
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0073 0.022
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3322 0.3273
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0218 0.0447
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0277 0.0205
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0356 0.0872
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0218 0.0146
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0277 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0277 0.0205
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3322 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1149 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0218 0.0447
Schistosoma mansoni DNA helicase recq1 0.0012 0.0277 0.0833
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0218 0.0447
Brugia malayi hypothetical protein 0.002 0.064 0.0571
Loa Loa (eye worm) hypothetical protein 0.0011 0.0218 0.0146
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0277 0.2411
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.108 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3322 1
Brugia malayi TAR-binding protein 0.0076 0.3322 0.3273
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0218 0.0447
Onchocerca volvulus 0.0011 0.0218 0.0146
Brugia malayi hypothetical protein 0.0011 0.0218 0.0146
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0218 0.0447
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1149 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3322 1
Leishmania major hypothetical protein, conserved 0.003 0.1149 1
Brugia malayi hypothetical protein 0.0011 0.0218 0.0146
Schistosoma mansoni dishevelled 0.0011 0.0218 0.0658
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.108 0.1014
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0218 0.0658
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0218 0.0447
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0443 1
Toxoplasma gondii hypothetical protein 0.0011 0.0218 0.1902
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0218 0.0447
Schistosoma mansoni dep domain containing protein 0.0011 0.0218 0.0658
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0277 0.0627
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0626 0.5452
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0218 0.0658
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3322 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0073 0.022
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0914 0.7309
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0277 0.2411
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1149 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0218 0.0447
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0218 0.0146
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0277 0.0627
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3322 0.3273
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0277 0.0205
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0218 0.0447
Schistosoma mansoni dishevelled 0.0011 0.0218 0.0658
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1149 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0218 0.0146
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0792 0.2385
Brugia malayi hypothetical protein 0.003 0.1149 0.1083
Echinococcus multilocularis bloom syndrome protein 0.0029 0.108 0.31
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3322 1
Schistosoma mansoni hypothetical protein 0.0014 0.0356 0.1073
Echinococcus granulosus tar DNA binding protein 0.0076 0.3322 1
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0218 0.0447
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1149 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0277 0.0627
Loa Loa (eye worm) RNA binding protein 0.0076 0.3322 0.3273
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0356 0.0872
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0073 0.022
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0218 0.0146
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0218 0.0658
Echinococcus granulosus bloom syndrome protein 0.0029 0.108 0.31
Entamoeba histolytica hypothetical protein 0.0008 0.0073 0.1651
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.108 1
Brugia malayi DIX domain containing protein 0.0011 0.0218 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0055 0.0167
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1149 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3322 0.3273
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Loa Loa (eye worm) hypothetical protein 0.0146 0.6598 0.6573
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0277 0.0205
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Loa Loa (eye worm) hypothetical protein 0.0011 0.0218 0.0146
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0073 0.022
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0443 0.3673
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0073 0.022
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0277 0.0627
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3322 1
Brugia malayi RNA binding protein 0.0076 0.3322 0.3273
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Loa Loa (eye worm) hypothetical protein 0.003 0.1149 0.1083
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0073 0.1651
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0443 0.3439
Schistosoma mansoni DNA helicase recq5 0.0012 0.0277 0.0833
Loa Loa (eye worm) hypothetical protein 0.0011 0.0218 0.0146

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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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