Detailed information for compound 620945

Basic information

Technical information
  • TDR Targets ID: 620945
  • Name: 5-[(4-ethoxy-3-methoxyphenyl)-[4-(2-hydroxyet hyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thia zolo[2,3-e][1,2,4]triazol-6-ol
  • MW: 447.551 | Formula: C21H29N5O4S
  • H donors: 2 H acceptors: 4 LogP: 2.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)C(c1sc2n(c1O)nc(n2)C)c1ccc(c(c1)OC)OCC
  • InChi: 1S/C21H29N5O4S/c1-4-30-16-6-5-15(13-17(16)29-3)18(25-9-7-24(8-10-25)11-12-27)19-20(28)26-21(31-19)22-14(2)23-26/h5-6,13,18,27-28H,4,7-12H2,1-3H3
  • InChiKey: BLUQLBUVPAPJAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(4-ethoxy-3-methoxy-phenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-thiazolo[2,3-e][1,2,4]triazol-6-ol
  • 5-[(4-ethoxy-3-methoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-methyl-6-thiazolo[2,3-e][1,2,4]triazolol
  • 5-[(4-ethoxy-3-methoxy-phenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol

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
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0045 0.0759 0.1556
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0893 0.1883
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0129 0.2877 0.2985
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0326 0.7854 1
Brugia malayi glutathione reductase 0.0129 0.2877 0.6064
Loa Loa (eye worm) glutathione reductase 0.0129 0.2877 0.6064
Trichomonas vaginalis set domain proteins, putative 0.0231 0.545 1
Entamoeba histolytica hypothetical protein 0.0036 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0316 0.0666
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2647 0.558
Echinococcus multilocularis thioredoxin glutathione reductase 0.013 0.2904 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0893 0.1883
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0293 0.7029 0.8837
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0341 0.1073
Brugia malayi TAR-binding protein 0.0125 0.2789 0.5878
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0045 0.0759 0.2526
Brugia malayi hypothetical protein 0.0036 0.0543 0.1145
Plasmodium vivax glutathione reductase, putative 0.0129 0.2877 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0071
Schistosoma mansoni intermediate filament proteins 0.0027 0.0316 0.0283
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0368 0.0336
Schistosoma mansoni lamin 0.0027 0.0316 0.0283
Schistosoma mansoni tar DNA-binding protein 0.0125 0.2789 0.2764
Echinococcus granulosus lamin dm0 0.0027 0.0316 0.0984
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0045 0.0759 0.0728
Leishmania major trypanothione reductase 0.0129 0.2877 1
Plasmodium vivax thioredoxin reductase, putative 0.0129 0.2877 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0368 0.0776
Echinococcus multilocularis lamin dm0 0.0027 0.0316 0.0984
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0045 0.0759 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.013 0.2904 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0543 0.1775
Brugia malayi RNA binding protein 0.0125 0.2789 0.5878
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0293 0.7029 0.8837
Schistosoma mansoni hypothetical protein 0.0036 0.0543 0.0511
Echinococcus multilocularis lamin 0.0027 0.0316 0.0984
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0368 0.0336
Schistosoma mansoni hypothetical protein 0.0034 0.0495 0.0463
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.2789 0.5878
Brugia malayi intermediate filament protein 0.0027 0.0316 0.0666
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0045 0.0759 0.5
Brugia malayi Thioredoxin reductase 0.0129 0.2877 0.6064
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0326 0.7854 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0293 0.7029 0.8837
Giardia lamblia NADH oxidase lateral transfer candidate 0.0045 0.0759 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0316 0.0666
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0045 0.0759 0.1556
Loa Loa (eye worm) hypothetical protein 0.0029 0.0368 0.0776
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0033 0.0461 0.0971
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0543 0.1775
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0316 0.0666
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0045 0.0759 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0045 0.0759 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0033 0.0461 0.0971
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4745 1
Entamoeba histolytica hypothetical protein 0.0036 0.0543 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0543 0.5
Echinococcus granulosus tar DNA binding protein 0.0125 0.2789 0.9597
Brugia malayi Pre-SET motif family protein 0.0203 0.4745 1
Trypanosoma brucei trypanothione reductase 0.0129 0.2877 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.2789 0.5878
Schistosoma mansoni tar DNA-binding protein 0.0125 0.2789 0.2764
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0759 0.5
Schistosoma mansoni lamin 0.0027 0.0316 0.0283
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0045 0.0759 0.2526
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0045 0.0759 0.1556
Echinococcus multilocularis tar DNA binding protein 0.0125 0.2789 0.9597
Mycobacterium tuberculosis Probable reductase 0.0293 0.7029 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0125 0.2789 0.2764
Trypanosoma cruzi trypanothione reductase, putative 0.0129 0.2877 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0495 0.1044
Onchocerca volvulus 0.0231 0.545 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0326 0.7854 1
Onchocerca volvulus 0.0029 0.0368 0.0102
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0033 0.0071
Echinococcus granulosus lamin 0.0027 0.0316 0.0984
Loa Loa (eye worm) TAR-binding protein 0.0125 0.2789 0.5878
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0893 0.1883
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0368 0.1166
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0368 0.1166
Treponema pallidum NADH oxidase 0.0045 0.0759 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0893 0.1883
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0316 0.0666
Brugia malayi MH2 domain containing protein 0.0119 0.2647 0.558
Plasmodium falciparum thioredoxin reductase 0.0129 0.2877 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0033 0.0071
Schistosoma mansoni tar DNA-binding protein 0.0125 0.2789 0.2764
Mycobacterium tuberculosis Probable oxidoreductase 0.0326 0.7854 1
Loa Loa (eye worm) thioredoxin reductase 0.0129 0.2877 0.6064
Entamoeba histolytica hypothetical protein 0.0036 0.0543 0.5
Schistosoma mansoni tar DNA-binding protein 0.0125 0.2789 0.2764
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0368 0.0336
Loa Loa (eye worm) hypothetical protein 0.0026 0.0303 0.064
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0759 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0033 0.0071
Loa Loa (eye worm) RNA binding protein 0.0125 0.2789 0.5878
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0368 0.0336
Mycobacterium tuberculosis Probable dehydrogenase 0.0293 0.7029 0.8837
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0368 0.1166
Toxoplasma gondii thioredoxin reductase 0.0129 0.2877 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0293 0.7029 0.8837
Plasmodium falciparum glutathione reductase 0.0129 0.2877 1
Echinococcus multilocularis musashi 0.0027 0.0316 0.0984
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0495 0.1044
Toxoplasma gondii NADPH-glutathione reductase 0.0045 0.0759 0.1556
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2647 0.558
Echinococcus granulosus intermediate filament protein 0.0027 0.0316 0.0984
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0543 0.0511
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0045 0.0759 0.1599

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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