Detailed information for compound 800909

Basic information

Technical information
  • TDR Targets ID: 800909
  • Name: 1-methylsulfanyl-9,10-dioxo-N-phenylanthracen e-2-carboxamide
  • MW: 373.424 | Formula: C22H15NO3S
  • H donors: 1 H acceptors: 3 LogP: 4.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1
  • InChi: 1S/C22H15NO3S/c1-27-21-17(22(26)23-13-7-3-2-4-8-13)12-11-16-18(21)20(25)15-10-6-5-9-14(15)19(16)24/h2-12H,1H3,(H,23,26)
  • InChiKey: VNEKOYFOCVAXNC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-methylsulfanyl-9,10-dioxo-N-phenyl-anthracene-2-carboxamide
  • 1-(methylthio)-9,10-dioxo-N-phenyl-2-anthracenecarboxamide
  • 9,10-diketo-1-(methylthio)-N-phenyl-anthracene-2-carboxamide
  • EU-0019553
  • ZINC04451814
  • A2694/0114724

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
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0048 0.3419
Loa Loa (eye worm) hypothetical protein 0.0049 0.0058 0.0048
Schistosoma mansoni hypothetical protein 0.0136 0.0326 0.0744
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0057 0.0047
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.002 0.139
Loa Loa (eye worm) RNA binding protein 0.0068 0.0118 0.0109
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.0359 0.0811
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0048 0.3419
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.002 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0139 0.013
Onchocerca volvulus 0.0936 0.2777 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.001
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0058 1
Mycobacterium ulcerans hypothetical protein 0.0049 0.0058 1
Schistosoma mansoni thyroid hormone receptor 0.0147 0.0359 0.0823
Echinococcus multilocularis microtubule associated protein 2 0.1417 0.4252 1
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0139 1
Onchocerca volvulus 0.0049 0.0058 0.0173
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0057 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0058 1
Brugia malayi chromobox protein homolog 3 0.0042 0.0038 0.0028
Echinococcus multilocularis chromobox protein 1 0.0075 0.0139 0.0292
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0057 0.0047
Loa Loa (eye worm) hypothetical protein 0.3292 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0058 0.0048
Schistosoma mansoni microtubule-associated protein tau 0.1417 0.4252 1
Leishmania major C-8 sterol isomerase-like protein 0.3292 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0058 1
Schistosoma mansoni thyroid hormone receptor 0.0147 0.0359 0.0823
Echinococcus granulosus chromobox protein 1 0.0075 0.0139 0.0292
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.0613 0.141
Leishmania major hypothetical protein, conserved 0.0936 0.2777 0.2735
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0058 1
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0058 0.0048
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0118 0.0109
Loa Loa (eye worm) hypothetical protein 0.1682 0.5066 0.5061
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0118 0.0256
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.001
Brugia malayi TAR-binding protein 0.0068 0.0118 0.0109
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.001
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0118 0.0109
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.001
Brugia malayi MH2 domain containing protein 0.0116 0.0264 0.0254
Trypanosoma brucei C-8 sterol isomerase, putative 0.3292 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0052 0.0099
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0118 0.0256
Loa Loa (eye worm) hypothetical protein 0.0048 0.0057 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0058 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.001
Schistosoma mansoni chromobox protein 0.0075 0.0139 0.0305
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0139 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0038 0.0028
Schistosoma mansoni hypothetical protein 0.0035 0.0016 0.0013
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0058 1
Onchocerca volvulus 0.0047 0.0052 0.0153
Echinococcus granulosus tar DNA binding protein 0.0068 0.0118 0.0243
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0052 0.0042
Echinococcus granulosus chromobox protein 1 0.0075 0.0139 0.0292
Loa Loa (eye worm) hypothetical protein 0.023 0.0613 0.0604
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0016 0.0013
Loa Loa (eye worm) hypothetical protein 0.0033 0.001 0.000003986
Schistosoma mansoni survival motor neuron protein 0.0047 0.0052 0.0099
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0058 0.5
Brugia malayi Heterochromatin protein 1 0.0075 0.0139 0.013
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0058 0.0048
Echinococcus multilocularis chromobox protein 1 0.0075 0.0139 0.0292
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0038 0.0101
Brugia malayi hypothetical protein 0.023 0.0613 0.0604
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.002 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.002 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0038 0.2714
Echinococcus granulosus microtubule associated protein 2 0.1417 0.4252 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0058 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0058 0.5
Brugia malayi hypothetical protein 0.0035 0.0016 0.0006
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0118 0.0109
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0058 1
Echinococcus granulosus survival motor neuron protein 1 0.023 0.0613 0.141
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0058 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0118 0.0256
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0058 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0264 0.0254
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0936 0.2777 0.2735
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.0326 0.0732
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0118 0.0256
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0058 0.0048
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0058 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0038 0.2714
Loa Loa (eye worm) hypothetical protein 0.0049 0.0058 0.0048
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0118 0.0243
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0048 0.0137
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.0326 0.0732
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0118 0.0256
Schistosoma mansoni chromobox protein 0.0075 0.0139 0.0305
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0264 0.0254
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0058 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3292 1 1
Brugia malayi RNA binding protein 0.0068 0.0118 0.0109

Activities

No activities found for this compound.

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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