Detailed information for compound 697859

Basic information

Technical information
  • TDR Targets ID: 697859
  • Name: 2-ethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1 ,3]thiazolo[2,3-e][1,2,4]triazol-5-yl]ethyl]b enzamide
  • MW: 424.491 | Formula: C22H21FN4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1C(=O)NCCc1sc2n(c1C)nc(n2)c1ccc(cc1)F
  • InChi: 1S/C22H21FN4O2S/c1-3-29-18-7-5-4-6-17(18)21(28)24-13-12-19-14(2)27-22(30-19)25-20(26-27)15-8-10-16(23)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,24,28)
  • InChiKey: KKKWKKCIFJCKAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-thiazolo[2,3-e][1,2,4]triazol-5-yl]ethyl]benzamide
  • 2-ethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-5-thiazolo[2,3-e][1,2,4]triazolyl]ethyl]benzamide

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
Brugia malayi pyruvate kinase 0.0036 0.0001 0.0001
Brugia malayi hypothetical protein 0.0108 0.119 0.119
Mycobacterium ulcerans pyruvate kinase 0.0169 0.2184 0.1982
Toxoplasma gondii pyruvate kinase PyK1 0.0169 0.2184 1
Trichomonas vaginalis glutaminase, putative 0.0546 0.8337 1
Echinococcus granulosus pyruvate kinase 0.0169 0.2184 0.2184
Brugia malayi TAR-binding protein 0.0648 1 1
Schistosoma mansoni hypothetical protein 0.019 0.252 0.252
Schistosoma mansoni alpha-glucosidase 0.0138 0.1674 0.1674
Loa Loa (eye worm) pyruvate kinase 0.0169 0.2184 0.2184
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.2038 0.2038
Echinococcus granulosus tar DNA binding protein 0.0648 1 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0497 0.0497
Schistosoma mansoni hypothetical protein 0.0068 0.0529 0.0529
Echinococcus multilocularis beta LACTamase domain containing family member 0.0076 0.0663 0.0663
Mycobacterium leprae Probable pyruvate kinase PykA 0.0169 0.2184 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0124 0.0148
Echinococcus multilocularis pyruvate kinase 0.0087 0.0838 0.0838
Loa Loa (eye worm) pyruvate kinase-PB 0.0118 0.1347 0.1347
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.2038 0.2038
Trypanosoma cruzi pyruvate kinase 2, putative 0.0169 0.2184 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.1816 0.1816
Entamoeba histolytica hypothetical protein 0.0113 0.127 0.9424
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1749 0.1749
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0663 0.0795
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0076 0.0663 0.0663
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0497 0.2275
Plasmodium vivax pyruvate kinase, putative 0.0169 0.2184 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1043 0.1043
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.012 0.1381 0.6321
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0124 0.0566
Echinococcus multilocularis tar DNA binding protein 0.0648 1 1
Echinococcus multilocularis pyruvate kinase 0.0169 0.2184 0.2184
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1043 0.1043
Loa Loa (eye worm) glutaminase 0.0546 0.8337 0.8337
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.012 0.1381 0.61
Toxoplasma gondii pyruvate kinase PyKII 0.0087 0.0838 0.3837
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.1634 0.1634
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.012 0.1381 0.1381
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.3289 0.3289
Loa Loa (eye worm) beta-lactamase 0.0076 0.0663 0.0663
Entamoeba histolytica hypothetical protein 0.0113 0.127 0.9424
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0663 0.0795
Echinococcus granulosus geminin 0.019 0.252 0.252
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0124 0.0124
Schistosoma mansoni glutaminase 0.0546 0.8337 0.8337
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0051 0.0255 0.0255
Schistosoma mansoni alpha-glucosidase 0.0138 0.1674 0.1674
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1634 0.1634
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0497 0.2275
Schistosoma mansoni tar DNA-binding protein 0.0648 1 1
Leishmania major hypothetical protein, conserved 0.0076 0.0663 0.3036
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.1816 0.1816
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0076 0.0663 0.0663
Leishmania major pyruvate kinase 0.0169 0.2184 1
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.0663 0.3036
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0487 0.737 1
Schistosoma mansoni tar DNA-binding protein 0.0648 1 1
Echinococcus multilocularis geminin 0.019 0.252 0.252
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0124 0.0566
Schistosoma mansoni hypothetical protein 0.019 0.252 0.252
Loa Loa (eye worm) TAR-binding protein 0.0648 1 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0043 0.0043
Giardia lamblia Pyruvate kinase 0.0087 0.0838 0.3649
Echinococcus multilocularis pyruvate kinase 0.0087 0.0838 0.0838
Schistosoma mansoni hypothetical protein 0.0113 0.127 0.127
Loa Loa (eye worm) hypothetical protein 0.0118 0.1347 0.1347
Loa Loa (eye worm) hypothetical protein 0.0169 0.2184 0.2184
Leishmania major pyruvate kinase 0.0169 0.2184 1
Mycobacterium ulcerans glutaminase 0.0546 0.8337 1
Echinococcus multilocularis pyruvate kinase 0.0169 0.2184 0.2184
Schistosoma mansoni pyruvate kinase 0.0087 0.0838 0.0838
Loa Loa (eye worm) glutaminase 2 0.0546 0.8337 0.8337
Trypanosoma brucei pyruvate kinase 1, putative 0.0169 0.2184 1
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0043 0.0043
Plasmodium falciparum pyruvate kinase 0.0169 0.2184 1
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.1816 0.1816
Schistosoma mansoni transcription factor LCR-F1 0.0113 0.127 0.127
Echinococcus granulosus beta LACTamase domain containing family member 0.0076 0.0663 0.0663
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0663 0.0795
Brugia malayi MH2 domain containing protein 0.0237 0.3289 0.3289
Trypanosoma brucei pyruvate kinase 1 0.0169 0.2184 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0497 0.2275
Onchocerca volvulus Pyruvate kinase homolog 0.0169 0.2184 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0113 0.127 0.127
Schistosoma mansoni tar DNA-binding protein 0.0648 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0648 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0663 0.0663
Brugia malayi beta-lactamase family protein 0.0076 0.0663 0.0663
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0065 0.0482
Loa Loa (eye worm) hypothetical protein 0.012 0.1381 0.1381
Loa Loa (eye worm) acetyltransferase 0.0147 0.1816 0.1816
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0663 0.0663
Brugia malayi Pyruvate kinase, M2 isozyme 0.0169 0.2184 0.2184
Loa Loa (eye worm) hypothetical protein 0.0076 0.0663 0.0663
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0169 0.2184 0.2268
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0076 0.0663 0.0663
Echinococcus granulosus pyruvate kinase 0.0087 0.0838 0.0838
Onchocerca volvulus 0.0093 0.0934 0.178
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0497 0.0497
Brugia malayi pyruvate kinase, muscle isozyme 0.0036 0.0001 0.0001
Loa Loa (eye worm) pyruvate kinase 0.0169 0.2184 0.2184
Brugia malayi RNA recognition motif domain containing protein 0.0648 1 1
Loa Loa (eye worm) RNA binding protein 0.0648 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0169 0.2184 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1634 0.1634
Echinococcus granulosus pyruvate kinase 0.0169 0.2184 0.2184
Trichomonas vaginalis esterase, putative 0.0076 0.0663 0.0795
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0497 0.2275
Echinococcus granulosus pyruvate kinase 0.0087 0.0838 0.0838
Plasmodium falciparum pyruvate kinase 2 0.0087 0.0838 0.3649
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.012 0.1381 0.1381
Entamoeba histolytica hypothetical protein 0.0113 0.127 0.9424
Echinococcus granulosus pyruvate kinase 0.0087 0.0838 0.0838
Schistosoma mansoni hypothetical protein 0.012 0.1381 0.1381
Giardia lamblia Pyruvate kinase 0.0169 0.2184 1
Schistosoma mansoni tar DNA-binding protein 0.0648 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0118 0.1347 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1634 0.1634
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0497 0.3688
Brugia malayi beta-lactamase family protein 0.0076 0.0663 0.0663
Loa Loa (eye worm) hypothetical protein 0.0076 0.0663 0.0663
Onchocerca volvulus Pyruvate kinase homolog 0.0169 0.2184 1
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.012 0.1381 0.1381
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0663 0.0795
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.012 0.1381 0.6208
Loa Loa (eye worm) hypothetical protein 0.0099 0.1043 0.1043
Trichomonas vaginalis pyruvate kinase, putative 0.0169 0.2184 0.262
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0663 0.0663
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.3289 0.3289
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0663 0.0795
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1043 0.1043
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.2038 0.2038
Loa Loa (eye worm) hypothetical protein 0.0076 0.0663 0.0663
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.2038 0.2038
Toxoplasma gondii ABC1 family protein 0.0076 0.0663 0.3036
Entamoeba histolytica hypothetical protein 0.0113 0.127 0.9424
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0113 0.127 0.127
Schistosoma mansoni pyruvate kinase 0.0169 0.2184 0.2184
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0663 0.3036
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0529 0.0529
Brugia malayi Pyruvate kinase, muscle isozyme 0.0169 0.2184 0.2184
Loa Loa (eye worm) hypothetical protein 0.0068 0.0529 0.0529
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1634 0.1634
Schistosoma mansoni tar DNA-binding protein 0.0648 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0497 0.0497
Schistosoma mansoni pyruvate kinase 0.0169 0.2184 0.2184
Plasmodium vivax hypothetical protein, conserved 0.0076 0.0663 0.2618
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0124 0.0148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1634 0.1634
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0001 0.0001
Trichomonas vaginalis pyruvate kinase, putative 0.0169 0.2184 0.262
Chlamydia trachomatis pyruvate kinase 0.0169 0.2184 0.5
Plasmodium vivax pyruvate kinase 2, putative 0.0087 0.0838 0.3467
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0663 0.3036
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0497 0.0497
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.012 0.1381 0.1381
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1634 0.1634
Brugia malayi hypothetical protein 0.0113 0.127 0.127
Loa Loa (eye worm) pyruvate kinase 0.0169 0.2184 0.2184
Loa Loa (eye worm) hypothetical protein 0.0076 0.0663 0.0663
Brugia malayi beta-lactamase 0.0076 0.0663 0.0663
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.2038 0.2038
Brugia malayi hypothetical protein 0.0108 0.119 0.119
Onchocerca volvulus Pyruvate kinase homolog 0.0169 0.2184 1
Echinococcus multilocularis pyruvate kinase 0.0087 0.0838 0.0838
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1634 0.1634
Brugia malayi glutaminase DH11.1 0.0546 0.8337 0.8337
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.1634 0.1634
Echinococcus multilocularis pyruvate kinase 0.0134 0.1602 0.1602

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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