Detailed information for compound 414187

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.429 | Formula: C18H21NO4S
  • H donors: 1 H acceptors: 3 LogP: 3.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CSC1=C(NC(C)(C)C)C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C18H21NO4S/c1-5-23-13(20)10-24-17-14(19-18(2,3)4)15(21)11-8-6-7-9-12(11)16(17)22/h6-9,19H,5,10H2,1-4H3
  • InChiKey: QIFUMUYCNWSCBT-UHFFFAOYSA-N  


Substructure search Similarity search

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
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0009 0.0009
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.022 0.022
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0414 0.1067 1
Leishmania major macrophage migration inhibitory factor-like protein 0.3669 1 1
Brugia malayi 6-phosphofructokinase 0.0105 0.022 0.022
Trypanosoma brucei C-8 sterol isomerase, putative 0.0414 0.1067 1
Brugia malayi hypothetical protein 0.0118 0.0254 0.0254
Trichomonas vaginalis conserved hypothetical protein 0.3669 1 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.3669 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.022 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.022 0.022
Brugia malayi 6-phosphofructokinase 0.0105 0.022 0.022
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0414 0.1067 0.1067
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.022 0.5
Plasmodium vivax macrophage migration inhibitory factor, putative 0.3669 1 1
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.022 0.022
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.3669 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0414 0.1067 0.1067
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.022 1
Onchocerca volvulus 0.054 0.1412 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.022 0.022
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0009 0.0009
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.3669 1 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.022 0.5
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0009 0.0009
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.022 0.206
Loa Loa (eye worm) macrophage migration inhibitory factor 0.3669 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0009 0.0009
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0009 0.5
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0009 0.0009
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0009 0.0009
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0028 0.0009 0.0009
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0009 0.0009
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.022 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1565 0.4226 0.4226
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0009 0.0009
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0009 0.0009
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.0511 0.0511
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.022 0.022
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0009 0.0009
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.022 0.5
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.022 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.022 0.022
Leishmania major C-8 sterol isomerase-like protein 0.0414 0.1067 0.1067
Giardia lamblia Macrophage migration inhibitory factor 0.3669 1 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0009 0.5
Loa Loa (eye worm) phosphofructokinase 0.0105 0.022 0.022
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.022 0.206
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0009 0.0009
Brugia malayi phosphofructokinase 0.0105 0.022 0.022
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.022 0.022
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.022 0.022
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0009 0.0009
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.022 0.022
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1565 0.4226 0.4226
Plasmodium falciparum macrophage migration inhibitory factor 0.3669 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0307 0.0774 0.0774
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0009 0.0009
Leishmania major macrophage migration inhibitory factor-like protein 0.3669 1 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0009 0.0009

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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