Detailed information for compound 766952

Basic information

Technical information
  • TDR Targets ID: 766952
  • Name: 6-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl ]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyr imidin-7-one
  • MW: 376.475 | Formula: C21H20N4OS
  • H donors: 0 H acceptors: 1 LogP: 4.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)ccs2
  • InChi: 1S/C21H20N4OS/c1-4-15-7-5-6-8-18(15)25-13(2)11-16(14(25)3)12-17-19(22)24-9-10-27-21(24)23-20(17)26/h5-12,22H,4H2,1-3H3/b17-12-,22-19?
  • InChiKey: LMTCZXUHTXCBON-GAGNZYIBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[[1-(2-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-thiazolo[3,2-a]pyrimidin-7-one
  • 6-[[1-(2-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylene]-5-imino-7-thiazolo[3,2-a]pyrimidinone
  • 6-[[1-(2-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one

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
Schistosoma mansoni hypothetical protein 0.0104 0.1121 0.6893
Loa Loa (eye worm) hypothetical protein 0.0118 0.1326 0.6774
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.1241 0.7944
Loa Loa (eye worm) hypothetical protein 0.0129 0.1475 0.7793
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.1121 0.5371
Brugia malayi 6-phosphofructokinase 0.0112 0.1241 0.6191
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0112 0.1241 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.1121 0.5371
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.1798 1
Brugia malayi phosphofructokinase 0.0112 0.1241 0.6191
Loa Loa (eye worm) hypothetical protein 0.0118 0.1326 0.6774
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.1241 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.1241 0.6191
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.1241 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.1798 1
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.1241 0.7944
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.1241 1
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.1241 1
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0086 0.5
Echinococcus multilocularis 6 phosphofructokinase 0.0112 0.1241 0.7944
Trypanosoma brucei pteridine reductase 1 0.0301 0.3901 1
Brugia malayi 6-phosphofructokinase 0.0112 0.1241 0.6191
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.1798 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1798 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0086 0.5
Echinococcus granulosus apoptotic protease activating factor 1 0.0129 0.1475 1
Leishmania major pteridine reductase 1 0.0301 0.3901 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0086 0.5
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.1241 0.5
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0112 0.1241 1
Brugia malayi hypothetical protein 0.0129 0.1475 0.7793
Schistosoma mansoni hypothetical protein 0.0084 0.0838 0.4408
Echinococcus multilocularis apoptotic protease activating factor 1 0.0129 0.1475 1
Echinococcus granulosus caspase 2 0.0129 0.1475 1
Schistosoma mansoni caspase-7 (C14 family) 0.0129 0.1475 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0086 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0129 0.1475 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.1241 0.6191
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.1241 1
Schistosoma mansoni hypothetical protein 0.0129 0.1475 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.1241 0.318
Onchocerca volvulus 0.0129 0.1475 1
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0086 0.5
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0086 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.1241 1
Schistosoma mansoni hypothetical protein 0.0102 0.1094 0.6658
Echinococcus multilocularis caspase 2 0.0129 0.1475 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0112 0.1241 0.5
Trypanosoma brucei RNA helicase, putative 0.0084 0.0838 0.2148
Mycobacterium ulcerans 6-phosphofructokinase 0.0112 0.1241 0.5
Echinococcus granulosus 6 phosphofructokinase 0.0112 0.1241 0.7944
Brugia malayi hypothetical protein 0.0118 0.1326 0.6774
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0086 0.5
Brugia malayi Cell death protein 3 precursor 0.0129 0.1475 0.7793
Loa Loa (eye worm) phosphofructokinase 0.0112 0.1241 0.6191
Loa Loa (eye worm) hypothetical protein 0.0129 0.1475 0.7793
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.1241 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.