Detailed information for compound 672693

Basic information

Technical information
  • TDR Targets ID: 672693
  • Name: ZINC01126185
  • MW: 414.561 | Formula: C23H30N2O3S
  • H donors: 1 H acceptors: 3 LogP: 5.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C)NC1CCCCCC1
  • InChi: 1S/C23H30N2O3S/c1-18-9-13-21(14-10-18)25(29(27,28)22-15-11-19(2)12-16-22)17-23(26)24-20-7-5-3-4-6-8-20/h9-16,20H,3-8,17H2,1-2H3,(H,24,26)
  • InChiKey: OTJNTBYLKFZVGY-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0036 0.3118
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1906 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0036 0.0031
Brugia malayi Inositol-1 0.0036 0.0104 0.0069
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0005 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0036 0.3118
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0005 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0104 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0104 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0036 0.3118
Loa Loa (eye worm) hypothetical protein 0.0023 0.0036 0.0031
Schistosoma mansoni protein kinase 0.1906 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0104 0.5
Schistosoma mansoni hypothetical protein 0.0165 0.0788 0.0691
Onchocerca volvulus 0.0023 0.0036 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0036 0.0031
Loa Loa (eye worm) hypothetical protein 0.1903 0.9985 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0104 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0005 0.0593
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0036 0.3118
Echinococcus multilocularis geminin 0.0165 0.0788 0.0691
Loa Loa (eye worm) hypothetical protein 0.0574 0.2951 0.2952
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0104 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0577 0.2966 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1906 1 1
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0577 0.2966 0.2967
Schistosoma mansoni protein kinase 0.1906 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0036 0.3118
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0036 0.4266
Schistosoma mansoni hypothetical protein 0.0165 0.0788 0.0691
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0104 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0084 1
Loa Loa (eye worm) inositol-1 0.0036 0.0104 0.0099
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0036 0.4266
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0084 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0577 0.2966 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0104 1
Echinococcus granulosus geminin 0.0165 0.0788 0.0691
Mycobacterium ulcerans hypothetical protein 0.0023 0.0036 0.3118
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0005 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0036 0.3118
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0104 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0036 0.3118

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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