Detailed information for compound 832348

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.463 | Formula: C20H20N4O3S
  • H donors: 1 H acceptors: 2 LogP: 3.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1CNC(=O)Cn1ncn2c(c1=O)cc1c2cc(s1)C
  • InChi: 1S/C20H20N4O3S/c1-3-27-17-7-5-4-6-14(17)10-21-19(25)11-24-20(26)16-9-18-15(8-13(2)28-18)23(16)12-22-24/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)
  • InChiKey: FYCLNCFVMVWPKP-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
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 0.1354
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0068 0.2288 0.0654
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0106 0.4251 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.155 0.0524
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0068 0.2288 0.5
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0218 1 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0068 0.2288 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0068 0.2288 0.1354
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0068 0.2288 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1749 0.0747
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0068 0.2288 1
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0218 1 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0068 0.2288 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0047 0.1205 0.0137
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0218 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 1
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0218 1 1
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0218 1 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0068 0.2288 0.1352
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 0.1354
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0068 0.2288 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1749 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0047 0.1205 0.0137
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0068 0.2288 0.1354
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0068 0.2288 0.1354
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0068 0.2288 0.1352
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0218 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 0.1354
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1749 0.0747
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0068 0.2288 0.1354
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0068 0.2288 0.1354
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0068 0.2288 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0068 0.2288 0.1354
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0068 0.2288 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1749 0.0749
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0218 1 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0068 0.2288 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0068 0.2288 0.1354
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0068 0.2288 0.1352
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0024 0 0.5
Leishmania major S-adenosylmethionine decarboxylase 0.0218 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0068 0.2288 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0068 0.2288 1
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0218 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 0.1354
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0068 0.2288 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0068 0.2288 0.1352
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0068 0.2288 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0068 0.2288 0.1354
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0068 0.2288 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0068 0.2288 1
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0106 0.4251 1

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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