Detailed information for compound 716627

Basic information

Technical information
  • TDR Targets ID: 716627
  • Name: 1-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-m ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
  • MW: 345.366 | Formula: C17H13F2N3OS
  • H donors: 0 H acceptors: 3 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)CSc1nnc(n1C)c1ccc(cc1)F
  • InChi: 1S/C17H13F2N3OS/c1-22-16(12-4-8-14(19)9-5-12)20-21-17(22)24-10-15(23)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3
  • InChiKey: QWYXTHOJJKDHNQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone
  • ZINC03520166
  • ST5439098

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
Echinococcus multilocularis N acetylgalactosamine kinase 0.0151 0.4932 0.4922
Trypanosoma cruzi galactokinase, putative 0.0254 0.8457 0.8222
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0252 0.8379 1
Leishmania major galactokinase-like protein 0.03 1 1
Trichomonas vaginalis galactokinase, putative 0.0061 0.1878 0.1996
Trypanosoma cruzi galactokinase, putative 0.03 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0282 0.9406 0.9405
Trypanosoma cruzi polo-like protein kinase, putative 0.0282 0.9406 0.9316
Trichomonas vaginalis galactokinase, putative 0.0151 0.4932 0.5244
Mycobacterium ulcerans hypothetical protein 0.0109 0.3487 0.2493
Brugia malayi serine/threonine-protein kinase plk-2 0.0282 0.9406 1
Trypanosoma cruzi galactokinase-like protein, putative 0.0254 0.8457 0.8222
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1785 0.188
Trichomonas vaginalis CAMK family protein kinase 0.014 0.4546 0.4833
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0151 0.4932 1
Mycobacterium ulcerans homoserine kinase 0.0107 0.342 0.2416
Trypanosoma cruzi polo-like protein kinase, putative 0.0282 0.9406 0.9316
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0145 0.474 0.3937
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0107 0.342 0.2416
Trypanosoma cruzi mevalonate kinase, putative 0.0107 0.342 0.2416
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0045 0.1324 0.1306
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0045 0.1324 0.1306
Leishmania major homoserine kinase, putative 0.0107 0.342 0.2416
Mycobacterium ulcerans phosphomevalonate kinase 0.0107 0.342 0.2416
Echinococcus granulosus cpg binding protein 0.003 0.08 0.0781
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0045 0.1324 0.1389
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0145 0.474 0.5
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0145 0.474 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Trichomonas vaginalis CAMK family protein kinase 0.014 0.4546 0.4833
Schistosoma mansoni serine/threonine protein kinase 0.0282 0.9406 1
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0045 0.1324 0.1338
Giardia lamblia Kinase, PLK 0.0282 0.9406 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1324 0.1408
Trichomonas vaginalis mevalonate kinase, putative 0.0045 0.1324 0.1408
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1785 0.0531
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.008 0.0059
Trichomonas vaginalis galactokinase, putative 0.0151 0.4932 0.5244
Trypanosoma brucei polo-like protein kinase 0.0282 0.9406 1
Schistosoma mansoni cpg binding protein 0.003 0.08 0.083
Trypanosoma cruzi fucose kinase, putative 0.0061 0.1878 0.0638
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1785 0.1768
Onchocerca volvulus Serine\/threonine kinase homolog 0.0282 0.9406 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1785 0.1768
Trichomonas vaginalis galactokinase, putative 0.0045 0.1324 0.1408
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1785 0.0531
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1785 0.0533
Brugia malayi CXXC zinc finger family protein 0.0028 0.0746 0.0718
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0252 0.8379 0.8131
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1785 0.0531
Trypanosoma cruzi homoserine kinase 0.0107 0.342 0.2416
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Brugia malayi mevalonate kinase family protein 0.0107 0.342 0.3585
Trypanosoma cruzi homoserine kinase 0.0107 0.342 0.2416
Mycobacterium ulcerans galactokinase 0.03 1 1
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0107 0.342 0.2416
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0282 0.9406 0.9405
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1324 0.1334
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0045 0.1324 0.1408
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0191 0.6282 0.5
Toxoplasma gondii GHMP kinase, putative 0.0107 0.342 0.5452
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0746 0.0714
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1785 0.0531
Leishmania major mevalonate kinase, putative 0.0107 0.342 0.2416
Schistosoma mansoni cpg binding protein 0.003 0.08 0.083
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1785 0.188
Trypanosoma brucei galactokinase-like protein, putative 0.0194 0.6392 0.627
Loa Loa (eye worm) galactokinase 0.0151 0.4932 0.5203
Entamoeba histolytica galactokinase, putative 0.03 1 1
Echinococcus multilocularis cpg binding protein 0.003 0.08 0.0781
Treponema pallidum galactokinase 0.0254 0.8457 1
Schistosoma mansoni kinase 0.0143 0.4673 0.4957
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0282 0.9406 1
Brugia malayi galactokinase family protein 0.0151 0.4932 0.5205
Echinococcus multilocularis Mevalonate galactokinase 0.0107 0.342 0.3407
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1826 0.1923
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0252 0.8379 0.5
Trypanosoma brucei homoserine kinase 0.0107 0.342 0.2594
Trichomonas vaginalis galactokinase, putative 0.0151 0.4932 0.5244
Echinococcus multilocularis galactokinase 0.03 1 1
Echinococcus granulosus Mevalonate galactokinase 0.0107 0.342 0.3407
Giardia lamblia Mevalonate kinase 0.0107 0.342 0.2594
Trichomonas vaginalis galactokinase, putative 0.0151 0.4932 0.5244
Trypanosoma cruzi galactokinase, putative 0.03 1 1
Onchocerca volvulus 0.0045 0.1324 0.0668
Trypanosoma brucei mevalonate kinase, putative 0.0107 0.342 0.2594
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.9406 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.008 0.0059
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0282 0.9406 0.9316
Trypanosoma cruzi fucose kinase, putative 0.0061 0.1878 0.0638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1785 0.0531
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0107 0.342 0.2594
Schistosoma mansoni galactokinase 0.0151 0.4932 0.5233
Schistosoma mansoni cpg binding protein 0.0028 0.0746 0.0772
Loa Loa (eye worm) hypothetical protein 0.0107 0.342 0.3582
Leishmania major phosphomevalonate kinase protein, putative 0.0107 0.342 0.2416
Schistosoma mansoni mevalonate kinase 0.0107 0.342 0.3622
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.03 1 1
Echinococcus granulosus N acetylgalactosamine kinase 0.0151 0.4932 0.4922

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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