Detailed information for compound 1385201

Basic information

Technical information
  • TDR Targets ID: 1385201
  • Name: 5-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2 H-1,2,4-triazol-3-amine
  • MW: 261.227 | Formula: C8H6F3N5S
  • H donors: 2 H acceptors: 3 LogP: 2.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1n[nH]c(n1)Sc1ccc(cn1)C(F)(F)F
  • InChi: 1S/C8H6F3N5S/c9-8(10,11)4-1-2-5(13-3-4)17-7-14-6(12)15-16-7/h1-3H,(H3,12,14,15,16)
  • InChiKey: JQIWLXBADGAZCI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]-2H-1,2,4-triazol-3-amine
  • 5-[[5-(trifluoromethyl)-2-pyridyl]thio]-2H-1,2,4-triazol-3-amine
  • [5-[[5-(trifluoromethyl)-2-pyridyl]thio]-2H-1,2,4-triazol-3-yl]amine
  • 5-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4H-1,2,4-triazol-3-ylamine
  • MLS000702570
  • SMR000226616
  • ZINC00984047

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus acetylcholinesterase 0.0887 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0337 0.3714 0.3625
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.015 0.1578 0.1459
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.015 0.1578 1
Brugia malayi amidase 0.0337 0.3714 0.3625
Loa Loa (eye worm) amidase 0.0041 0.033 0.0325
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0041 0.033 0.0325
Brugia malayi Carboxylesterase family protein 0.015 0.1578 0.1459
Echinococcus granulosus para nitrobenzyl esterase 0.015 0.1578 0.1459
Loa Loa (eye worm) carboxylesterase 0.015 0.1578 0.1574
Brugia malayi Amidase family protein 0.0041 0.033 0.0193
Onchocerca volvulus 0.015 0.1578 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.015 0.1578 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0139 0.0134
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0041 0.033 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0887 1 1
Brugia malayi putative amidase 0.0041 0.033 0.0193
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Loa Loa (eye worm) acetylcholinesterase 1 0.0887 1 1
Schistosoma mansoni DNA helicase recq5 0.0024 0.0139 0.0134
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Brugia malayi Carboxylesterase family protein 0.015 0.1578 0.1459
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0139 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0005 0.0381
Echinococcus granulosus family S9 non peptidase ue S09 family 0.015 0.1578 0.1459
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.0139 0.5
Loa Loa (eye worm) hypothetical protein 0.0887 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0887 1 1
Echinococcus multilocularis acetylcholinesterase 0.0887 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.015 0.1578 1
Echinococcus granulosus neuroligin 0.015 0.1578 0.1459
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0005 0.0381
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0337 0.3714 0.3625
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0139 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0337 0.3714 0.3625
Loa Loa (eye worm) hypothetical protein 0.0887 1 1
Onchocerca volvulus 0.015 0.1578 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0139 0.4128
Mycobacterium ulcerans carboxylesterase, LipT 0.015 0.1578 1
Schistosoma mansoni DNA helicase recq1 0.0024 0.0139 0.0134
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0041 0.033 0.0193
Loa Loa (eye worm) hypothetical protein 0.0024 0.0139 0.0134
Brugia malayi Carboxylesterase family protein 0.015 0.1578 0.1459
Echinococcus granulosus BC026374 protein S09 family 0.015 0.1578 0.1459
Schistosoma mansoni amidase 0.0337 0.3714 0.3711
Brugia malayi hypothetical protein 0.015 0.1578 0.1459
Schistosoma mansoni gliotactin 0.015 0.1578 0.1574
Brugia malayi Amidase family protein 0.0041 0.033 0.0193
Schistosoma mansoni BC026374 protein (S09 family) 0.015 0.1578 0.1574
Loa Loa (eye worm) RecQ helicase 0.0024 0.0139 0.0134
Loa Loa (eye worm) carboxylesterase 0.015 0.1578 0.1574
Echinococcus granulosus carboxylesterase 5A 0.0887 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0139 1
Loa Loa (eye worm) amidase 0.0041 0.033 0.0325
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0041 0.033 0.0193
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.015 0.1578 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0337 0.3714 0.3711
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.00000000011281
Onchocerca volvulus 0.015 0.1578 0.5
Onchocerca volvulus 0.015 0.1578 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.1578 0.1574
Echinococcus multilocularis BC026374 protein (S09 family) 0.015 0.1578 0.1459
Schistosoma mansoni fatty-acid amide hydrolase 0.0041 0.033 0.0325
Echinococcus multilocularis para nitrobenzyl esterase 0.015 0.1578 0.1459
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0041 0.033 0.5
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0041 0.033 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.015 0.1578 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0041 0.033 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.1578 0.1574
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0041 0.033 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0337 0.3714 0.3625
Brugia malayi Carboxylesterase family protein 0.0887 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.1578 0.1574
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0041 0.033 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0041 0.033 0.0193
Echinococcus granulosus fatty acid amide hydrolase 1 0.0041 0.033 0.0193
Loa Loa (eye worm) carboxylesterase 0.0887 1 1
Echinococcus multilocularis acetylcholinesterase 0.0887 1 1
Schistosoma mansoni acetylcholinesterase 0.015 0.1578 0.1574
Trypanosoma cruzi amidase, putative 0.0041 0.033 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0041 0.033 1
Loa Loa (eye worm) hypothetical protein 0.0337 0.3714 0.3711
Schistosoma mansoni neuroligin 3 (S09 family) 0.015 0.1578 0.1574
Echinococcus multilocularis neuroligin 0.015 0.1578 0.1459
Echinococcus granulosus acetylcholinesterase 0.0887 1 1
Leishmania major hypothetical protein, conserved 0.0041 0.033 1
Onchocerca volvulus 0.015 0.1578 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0005 0.0161
Brugia malayi Carboxylesterase family protein 0.015 0.1578 0.1459
Trypanosoma cruzi amidase, putative 0.0041 0.033 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0041 0.033 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.1578 0.1574

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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