Detailed information for compound 1236257

Basic information

Technical information
  • TDR Targets ID: 1236257
  • Name: 4-(2,5-dimethylphenyl)-5-furan-2-yl-2H-1,2,4- triazole-3-thione
  • MW: 271.338 | Formula: C14H13N3OS
  • H donors: 0 H acceptors: 2 LogP: 3.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)n1c(S)nnc1c1ccco1)C
  • InChi: 1S/C14H13N3OS/c1-9-5-6-10(2)11(8-9)17-13(15-16-14(17)19)12-4-3-7-18-12/h3-8H,1-2H3,(H,16,19)
  • InChiKey: YEFKECYJBYDOBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2,5-dimethylphenyl)-5-(2-furyl)-2H-1,2,4-triazole-3-thione
  • ZINC00374939
  • AK-968/41924448
  • 4-(2,5-dimethylphenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide
  • MLS001179487
  • SMR000476927
  • IVK/1024031

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica recQ family helicase, putative 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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bloom's syndrome protein homolog 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis DNA helicase recq, 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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative 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 yoelii ATP-dependent DNA helicase recQ-related 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
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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 ATP-dependent DNA helicase Q1, putative 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
Babesia bovis ATP-dependent DNA helicase, RecQ family protein 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 granulosus bloom syndrome 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 berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative 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
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) ATP-dependent DNA helicase 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
Schistosoma mansoni DNA helicase recq5 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
Loa Loa (eye worm) RecQ helicase 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 hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 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
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei 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
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical 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
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum ATP-dependent DNA helicase 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
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 citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0742 0.5
Plasmodium falciparum phd finger protein, putative 0.0035 0.0971 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0006 0.0006
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0025 0.0058
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0025 0.0058
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0718 0.1696
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0168 0.0168
Schistosoma mansoni hypothetical protein 0.0035 0.0971 0.2971
Giardia lamblia PHD finger protein 15 0.0035 0.0971 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0006 0.0006
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0742 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.1273 0.2322
Brugia malayi jmjC domain containing protein 0.0115 0.4233 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1533 0.362
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0742 0.1753
Brugia malayi PHD-finger family protein 0.0035 0.0971 0.2294
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0025 0.0253
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0025 0.0045
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2498 0.4558
Trypanosoma brucei hypothetical protein, conserved 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0011
Brugia malayi PHD-finger family protein 0.0012 0.0006 0.0014
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0335 0.3455
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0742 0.5
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0168 0.0168
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.1273 0.3006
Brugia malayi jmjC domain containing protein 0.0043 0.1273 0.3006
Mycobacterium ulcerans hypothetical protein 0.003 0.0742 0.5
Echinococcus granulosus peregrin 0.0035 0.0971 0.2294
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0006 0.006
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0718 0.1696
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0574 0.5916
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0012 0.0006 0.0018
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.4233 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0025 0.0075
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0718 0.9578
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1273 0.3006
Trypanosoma cruzi hypothetical protein, conserved 0.0257 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0168 0.0168
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0971 0.2294
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1533 0.362
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0971 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0006 0.006
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.4233 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0469 0.1436
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0971 0.2971
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0971 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0971 0.1772
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0006 0.006
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1273 0.3894
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1273 0.3894
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0742 0.0742
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0012 0.0006 0.006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0045
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0025 0.0058
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0971 1
Onchocerca volvulus Alhambra homolog 0.0035 0.0971 0.5
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0742 0.1753
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0326 0.3358
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0742 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0971 0.2294
Echinococcus granulosus bloom syndrome protein 0.0029 0.0718 0.1696
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0006 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0257 1 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0742 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0025 0.0253
Mycobacterium ulcerans hypothetical protein 0.003 0.0742 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0718 0.9578
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0971 0.1772
Loa Loa (eye worm) hypothetical protein 0.006 0.1995 0.3641
Loa Loa (eye worm) hypothetical protein 0.0146 0.548 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0742 0.0742
Mycobacterium tuberculosis Conserved protein 0.003 0.0742 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0025 0.0058
Echinococcus multilocularis peregrin 0.0035 0.0971 0.2294
Schistosoma mansoni hypothetical protein 0.0012 0.0006 0.0018
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0742 0.0742
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0025 0.0058
Brugia malayi AF-10 protein 0.0012 0.0006 0.0014
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0025 0.0058
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0168 0.5
Schistosoma mansoni DNA helicase recq1 0.0012 0.0025 0.0075
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0025 0.0253
Loa Loa (eye worm) RecQ helicase 0.0029 0.0718 0.131
Brugia malayi Bromodomain containing protein 0.0035 0.0971 0.2294
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3268 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.