Detailed information for compound 705831

Basic information

Technical information
  • TDR Targets ID: 705831
  • Name: 4-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[ 2,3-e][1,2,4]triazol-6-yl)ethyl]benzamide
  • MW: 372.44 | Formula: C17H13FN4OS2
  • H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)NCCc1csc2n1nc(n2)c1cccs1
  • InChi: 1S/C17H13FN4OS2/c18-12-5-3-11(4-6-12)16(23)19-8-7-13-10-25-17-20-15(21-22(13)17)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23)
  • InChiKey: ZFAFEBQNRQUMKG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-fluoro-N-[2-[2-(2-thienyl)thiazolo[2,3-e][1,2,4]triazol-6-yl]ethyl]benzamide
  • 4-fluoro-N-[2-[2-(2-thienyl)-6-thiazolo[2,3-e][1,2,4]triazolyl]ethyl]benzamide
  • ZINC05166231

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
Loa Loa (eye worm) hypothetical protein 0.0197 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0685 0.195
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0032 0.1103 0.2438
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.1748 0.3743
Schistosoma mansoni inositol monophosphatase 0.0044 0.1748 0.3555
Schistosoma mansoni hypothetical protein 0.0043 0.1686 0.3429
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.1748 0.3962
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.1748 0.3743
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0093 0.4411 1
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0074 0.3362 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.1748 0.3912
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0103 0.4916 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0061 0.2672 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1686 0.3429
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 0.5
Toxoplasma gondii CAAX metallo endopeptidase 0.0074 0.3362 0.7111
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0074 0.3362 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.1748 0.3743
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0093 0.4411 1
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0074 0.3362 1
Entamoeba histolytica CAAX prenyl protease, putative 0.0074 0.3362 1
Brugia malayi hypothetical protein 0.0026 0.0782 0.0517
Loa Loa (eye worm) hypothetical protein 0.0093 0.4411 0.3937
Brugia malayi Inositol-1 0.0044 0.1748 0.1511
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 0.5
Brugia malayi hypothetical protein 0.0043 0.1686 0.1447
Brugia malayi Probable ClpP-like protease 0.0093 0.4411 0.425
Echinococcus granulosus caax prenyl protease 1 0.0074 0.3362 0.7623
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0093 0.4411 1
Echinococcus multilocularis caax prenyl protease 1 0.0074 0.3362 0.7623
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.1748 0.3743
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0074 0.3362 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.1748 0.5145
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0061 0.2672 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1498 0.5545
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0061 0.2672 0.6025
Loa Loa (eye worm) inositol-1 0.0044 0.1748 0.1048
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0074 0.3362 1
Echinococcus granulosus peptidase Clp S14 family 0.0061 0.2672 0.6058
Loa Loa (eye worm) hypothetical protein 0.0103 0.4916 0.4485
Brugia malayi Peptidase family M48 containing protein 0.0074 0.3362 0.3172
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0093 0.4411 1
Brugia malayi Trypsin family protein 0.0103 0.4916 0.477
Schistosoma mansoni inositol monophosphatase 0.0044 0.1748 0.3555
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0093 0.4411 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.1748 0.0369
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0074 0.3362 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0093 0.4411 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.1748 0.5145
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0197 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0032 0.1103 0.0885
Toxoplasma gondii hypothetical protein 0.0032 0.1103 0.0885
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1686 0.3822
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.1748 0.5145
Echinococcus multilocularis peptidase Clp (S14 family) 0.0061 0.2672 0.6058
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0685 0.195
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.1748 0.2662
Loa Loa (eye worm) peptidase family M48 containing protein 0.0074 0.3362 0.28
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1686 0.3822
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 1
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0074 0.3362 0.684
Schistosoma mansoni peptidase Clp (S14 family) 0.0093 0.4411 0.8972
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0032 0.1103 0.0885
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.1748 0.3912
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1498 0.3341
Onchocerca volvulus 0.0103 0.4916 0.0665
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0103 0.4916 1
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.1748 0.3962
Loa Loa (eye worm) hypothetical protein 0.0103 0.4916 0.4485
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0093 0.4411 1

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.

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