Detailed information for compound 761807

Basic information

Technical information
  • TDR Targets ID: 761807
  • Name: 5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-p yridin-3-yl-[1,3]thiazolo[2,3-e][1,2,4]triazo l-6-one
  • MW: 384.452 | Formula: C19H20N4O3S
  • H donors: 0 H acceptors: 4 LogP: 3.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1OC)C=C1SC2N(C1=O)NC(N2)c1cccnc1
  • InChi: 1S/C19H16N4O3S/c1-3-26-14-7-6-12(9-15(14)25-2)10-16-18(24)23-19(27-16)21-17(22-23)13-5-4-8-20-11-13/h4-11H,3H2,1-2H3/b16-10-
  • InChiKey: DYUYYDWZFMWTKK-YBEGLDIGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-one
  • 5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(3-pyridyl)thiazolo[2,3-e][1,2,4]triazol-6-one
  • (5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(3-pyridyl)thiazolo[2,3-e][1,2,4]triazol-6-one
  • 5-[(4-ethoxy-3-methoxyphenyl)methylene]-2-(3-pyridyl)-6-thiazolo[2,3-e][1,2,4]triazolone
  • (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylene]-2-(3-pyridyl)-6-thiazolo[2,3-e][1,2,4]triazolone
  • (5Z)-5-(4-ethoxy-3-methoxy-benzylidene)-2-(3-pyridyl)thiazolo[2,3-e][1,2,4]triazol-6-one
  • 5-(4-ethoxy-3-methoxy-benzylidene)-2-(3-pyridyl)thiazolo[2,3-e][1,2,4]triazol-6-one
  • (5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-one
  • 5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-one
  • ZINC02701768

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 tuberculosis Probable reductase 0.0222 0.2758 0.8869
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0.0121 1
Echinococcus multilocularis ferritin 0.0028 0.0036 0.0036
Leishmania major trypanothione reductase 0.0097 0.1012 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0034 0.0121 0.0276
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0247 0.3105 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0.0121 1
Echinococcus multilocularis tumor protein p63 0.0739 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0121 0.0121
Echinococcus granulosus expressed protein 0.0028 0.0036 0.0036
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0121 1
Schistosoma mansoni ferritin light chain 0.0028 0.0036 0.0039
Brugia malayi hypothetical protein 0.0224 0.2794 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0209 0.0209
Schistosoma mansoni apoferritin-2 0.0028 0.0036 0.0039
Plasmodium falciparum thioredoxin reductase 0.0097 0.1012 1
Schistosoma mansoni ferritin 0.0028 0.0036 0.0039
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.1012 0.1012
Entamoeba histolytica hypothetical protein 0.0224 0.2794 0.5
Brugia malayi Thioredoxin reductase 0.0097 0.1012 0.3536
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.1012 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0209 0.0209
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0.0121 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0283 0.0402
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0121 0.0121
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0222 0.2758 0.8869
Entamoeba histolytica hypothetical protein 0.0224 0.2794 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0694 0.9373 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0222 0.2758 0.8869
Onchocerca volvulus 0.0108 0.1164 0.5
Echinococcus multilocularis expressed protein 0.0028 0.0036 0.0036
Schistosoma mansoni bromodomain containing protein 0.007 0.0635 0.0677
Brugia malayi Bromodomain containing protein 0.0043 0.0245 0.0756
Entamoeba histolytica hypothetical protein 0.0224 0.2794 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.1012 0.3179
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0579 0.0579
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0224 0.2794 0.2794
Plasmodium vivax glutathione reductase, putative 0.0097 0.1012 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0222 0.2758 0.8869
Schistosoma mansoni ferritin 0.0028 0.0036 0.0039
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0222 0.2758 0.8869
Mycobacterium tuberculosis Probable dehydrogenase 0.0222 0.2758 0.8869
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0034 0.0121 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0121 1
Schistosoma mansoni hypothetical protein 0.0224 0.2794 0.2981
Schistosoma mansoni ferritin 0.0028 0.0036 0.0039
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0247 0.3105 1
Echinococcus granulosus ferritin 0.0028 0.0036 0.0036
Trypanosoma brucei trypanothione reductase 0.0097 0.1012 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.1012 0.1012
Entamoeba histolytica hypothetical protein 0.0224 0.2794 0.5
Loa Loa (eye worm) glutathione reductase 0.0097 0.1012 0.8343
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0121 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0222 0.2758 0.8869
Mycobacterium tuberculosis Probable oxidoreductase 0.0247 0.3105 1
Schistosoma mansoni cellular tumor antigen P53 0.0108 0.1164 0.1242
Brugia malayi Bromodomain containing protein 0.0083 0.0817 0.283
Treponema pallidum NADH oxidase 0.0034 0.0121 1
Schistosoma mansoni ferritin light chain 0.0028 0.0036 0.0039
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0121 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0121 0.0306
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.1012 0.8343
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0247 0.3105 1
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.1012 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0121 0.0129
Echinococcus multilocularis microtubule associated protein 2 0.0694 0.9373 0.9373
Schistosoma mansoni transcription factor LCR-F1 0.0224 0.2794 0.2981
Schistosoma mansoni ferritin 0.0028 0.0036 0.0039
Brugia malayi glutathione reductase 0.0097 0.1012 0.3536
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0579 0.0579
Toxoplasma gondii thioredoxin reductase 0.0097 0.1012 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0313 0.0726
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0.0121 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0751 0.5494
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0224 0.2794 0.2794
Echinococcus granulosus microtubule associated protein 2 0.0694 0.9373 0.9373
Plasmodium falciparum glutathione reductase 0.0097 0.1012 1
Schistosoma mansoni apoferritin-2 0.0028 0.0036 0.0039
Loa Loa (eye worm) hypothetical protein 0.0108 0.1164 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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