Detailed information for compound 778292

Basic information

Technical information
  • TDR Targets ID: 778292
  • Name: BAS 05511503
  • MW: 424.47 | Formula: C22H20N2O5S
  • H donors: 1 H acceptors: 4 LogP: 3.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1c2cccc3c2c(S1(=O)=O)ccc3)Nc1ccc(cc1)C(=O)OC(C)C
  • InChi: 1S/C22H20N2O5S/c1-14(2)29-22(26)16-9-11-17(12-10-16)23-20(25)13-24-18-7-3-5-15-6-4-8-19(21(15)18)30(24,27)28/h3-12,14H,13H2,1-2H3,(H,23,25)
  • InChiKey: MEKHPTBJBKNKKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00794818

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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0836 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0488 0.0488
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0296 0.2601
Brugia malayi Inositol-1 0.0041 0.0836 0.079
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.033 1 1
Brugia malayi TAR-binding protein 0.0063 0.1552 0.1509
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1552 0.2407
Schistosoma mansoni hypothetical protein 0.0169 0.4908 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0106 0.5
Trichomonas vaginalis conserved hypothetical protein 0.033 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0141 0.4005 0.4005
Echinococcus granulosus lamin 0.003 0.0488 0.0994
Schistosoma mansoni inositol monophosphatase 0.0041 0.0836 0.0788
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1552 0.2407
Schistosoma mansoni hypothetical protein 0.0169 0.4908 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0106 0.049
Loa Loa (eye worm) hypothetical protein 0.0024 0.0296 0.0296
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0296 0.3527
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0149 0.4278 0.4278
Echinococcus granulosus tar DNA binding protein 0.0063 0.1552 0.3162
Brugia malayi intermediate filament protein 0.003 0.0488 0.044
Echinococcus multilocularis muscleblind protein 0.0149 0.4278 0.8715
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0106
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1552 0.1552
Schistosoma mansoni inositol monophosphatase 0.0041 0.0836 0.0788
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1552 0.3162
Loa Loa (eye worm) macrophage migration inhibitory factor 0.033 1 1
Leishmania major macrophage migration inhibitory factor-like protein 0.033 1 1
Brugia malayi Muscleblind-like protein 0.0149 0.4278 0.4249
Loa Loa (eye worm) intermediate filament protein 0.003 0.0488 0.0488
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0296 0.2601
Plasmodium vivax macrophage migration inhibitory factor, putative 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0106
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0836 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0836 0.5
Echinococcus multilocularis lamin dm0 0.003 0.0488 0.0994
Plasmodium falciparum macrophage migration inhibitory factor 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0488 0.0488
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1552 0.2407
Leishmania major macrophage migration inhibitory factor-like protein 0.033 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.005 0.005
Loa Loa (eye worm) RNA binding protein 0.0063 0.1552 0.1552
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0296 0.2601
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1552 0.2407
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0701 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0296 0.3527
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.033 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0836 0.1704
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.033 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0296 0.2601
Echinococcus granulosus muscleblind protein 0.0149 0.4278 0.8715
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0106
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0296 0.0247
Echinococcus granulosus intermediate filament protein 0.003 0.0488 0.0994
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0488 0.044
Onchocerca volvulus 0.003 0.0488 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0836 0.5
Echinococcus granulosus geminin 0.0169 0.4908 1
Echinococcus granulosus lamin dm0 0.003 0.0488 0.0994
Onchocerca volvulus 0.003 0.0488 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0471 0.0471
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0296 0.2601
Mycobacterium ulcerans hypothetical protein 0.0024 0.0296 0.2601
Loa Loa (eye worm) hypothetical protein 0.0149 0.4278 0.4278
Echinococcus multilocularis lamin 0.003 0.0488 0.0994
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0701 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0296 0.2601
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1552 0.1509
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1552 0.2407
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0836 0.0557
Loa Loa (eye worm) hypothetical protein 0.0024 0.0296 0.0296
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0836 1
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0836 0.1704
Echinococcus multilocularis musashi 0.003 0.0488 0.0994
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0141 0.4005 0.4005
Echinococcus multilocularis geminin 0.0169 0.4908 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0106
Loa Loa (eye worm) inositol-1 0.0041 0.0836 0.0836
Loa Loa (eye worm) hypothetical protein 0.0024 0.0296 0.0296
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0296 0.2601
Echinococcus multilocularis muscleblind protein 1 0.0149 0.4278 0.8715
Giardia lamblia Macrophage migration inhibitory factor 0.033 1 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0296 0.0247
Brugia malayi RNA binding protein 0.0063 0.1552 0.1509
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1552 0.1552
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0836 0.0557
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0296 0.0247

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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