Detailed information for compound 664498

Basic information

Technical information
  • TDR Targets ID: 664498
  • Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-t riazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethan one
  • MW: 424.878 | Formula: C21H14ClFN4OS
  • H donors: 0 H acceptors: 4 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1
  • InChi: 1S/C21H14ClFN4OS/c22-16-3-7-18(8-4-16)27-20(15-9-11-24-12-10-15)25-26-21(27)29-13-19(28)14-1-5-17(23)6-2-14/h1-12H,13H2
  • InChiKey: FBJVWZOWYHDXLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
  • 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)ethanone
  • ST5062827

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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 1 1
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0191 0.5984 1
Treponema pallidum fructose-bisphosphate aldolase 0.0299 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Schistosoma mansoni hypothetical protein 0.0038 0.0276 0.0461
Loa Loa (eye worm) hypothetical protein 0.0055 0.0922 0.1541
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0361 0.0603
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.2163 0.4618
Brugia malayi jmjC domain containing protein 0.0081 0.1911 0.3194
Brugia malayi NG,NG-dimethylarginine dimethylaminohydrolase 1, putative 0.0191 0.5984 1
Schistosoma mansoni alpha-glucosidase 0.0154 0.4626 0.773
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.062 0.1036
Plasmodium vivax glutathione reductase, putative 0.0039 0.0319 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0467 0.078
Loa Loa (eye worm) glutathione reductase 0.0039 0.0319 0.0533
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0361 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0276 0.0461
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0191 0.5984 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.5555 0.9284
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.3367 0.5627
Schistosoma mansoni jumonji domain containing protein 0.0065 0.1288 0.2153
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 1 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.5555 0.9284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.062 0.1036
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0098 0.2529 0.1705
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.2163 0.4618
Onchocerca volvulus 0.0191 0.5984 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.062 0.1036
Trypanosoma brucei glucosidase, putative 0.004 0.0361 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0098 0.2529 0.5535
Schistosoma mansoni lipoxygenase 0.0084 0.2017 0.337
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.4312 1
Schistosoma mansoni lipoxygenase 0.0121 0.3367 0.5627
Brugia malayi Thioredoxin reductase 0.0039 0.0319 0.0533
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0081 0.1911 0.3194
Loa Loa (eye worm) jmjC domain-containing protein 0.0051 0.0791 0.1322
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.2163 0.4618
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0319 0.0533
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.5555 0.9284
Loa Loa (eye worm) hypothetical protein 0.0191 0.5984 1
Leishmania major hypothetical protein, unknown function 0.0191 0.5984 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0361 0.0074
Plasmodium falciparum thioredoxin reductase 0.0039 0.0319 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0081 0.1911 0.3194
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0319 0.5
Schistosoma mansoni alpha-glucosidase 0.0154 0.4626 0.773
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.5555 0.9284
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0361 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.2163 0.4618
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.062 0.1036
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0338 0.0565
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.062 0.1036
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.087 0.1454
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.062 0.1036
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0361 1
Leishmania major hypothetical protein, unknown function 0.0191 0.5984 1
Echinococcus granulosus jumonji domain containing protein 0.0035 0.0168 0.028
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.4312 1
Schistosoma mansoni alpha glucosidase 0.004 0.0361 0.0603
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0922 0.1541
Mycobacterium tuberculosis Probable oxidoreductase 0.0098 0.2529 0.5535
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0338 0.0565
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0098 0.2529 0.5535
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0361 0.0603
Echinococcus multilocularis jumonji domain containing protein 0.0035 0.0168 0.028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.062 0.1036
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0922 0.1541
Mycobacterium tuberculosis Probable reductase 0.0088 0.2163 0.4618
Echinococcus multilocularis ng dimethylarginine dimethylaminohydrolase 0.0191 0.5984 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.062 0.1036
Loa Loa (eye worm) hypothetical protein 0.0038 0.0276 0.0461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.3367 0.5627
Brugia malayi Cytochrome P450 family protein 0.0054 0.087 0.1454
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.5555 0.9284
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.062 0.1036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0361 0.0603
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.2163 0.4618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.4312 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0922 0.1541
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0361 0.0603
Brugia malayi glutathione reductase 0.0039 0.0319 0.0533
Echinococcus granulosus ng dimethylarginine dimethylaminohydrolase 0.0191 0.5984 1
Plasmodium falciparum glutathione reductase 0.0039 0.0319 0.5

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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