Detailed information for compound 1332068

Basic information

Technical information
  • TDR Targets ID: 1332068
  • Name: N-(2,4-difluorophenyl)-2-[[4-methyl-5-(thioph en-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ac etamide
  • MW: 380.435 | Formula: C16H14F2N4OS2
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1C)Cc1cccs1
  • InChi: 1S/C16H14F2N4OS2/c1-22-14(8-11-3-2-6-24-11)20-21-16(22)25-9-15(23)19-13-5-4-10(17)7-12(13)18/h2-7H,8-9H2,1H3,(H,19,23)
  • InChiKey: GECAXIFZSDHTHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-difluorophenyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(2,4-difluorophenyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(2,4-difluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

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 granulosus tar DNA binding protein 0.0067 0.1488 0.1816
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1488 0.261
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1488 0.5099
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.2019 0.7396
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2019 0.1466
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.3166 0.6001
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0958 0.0628
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.1547 0.1947
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.01 0.2729 0.2351
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1547 0.2728
Echinococcus multilocularis geminin 0.0164 0.5145 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.01 0.2729 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0779 0.23
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0677 0.097
Brugia malayi hypothetical protein 0.0112 0.3166 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.01 0.2729 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.2019 0.3003
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1488 0.261
Schistosoma mansoni hypothetical protein 0.0164 0.5145 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.2019 0.7193
Echinococcus granulosus geminin 0.0164 0.5145 1
Entamoeba histolytica hypothetical protein 0.0112 0.3166 0.5
Toxoplasma gondii hypothetical protein 0.0047 0.0723 0.2649
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.3166 0.5571
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0084 0.2135 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.2019 0.3681
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.1547 0.3119
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.01 0.2729 0.4594
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.01 0.2729 0.1399
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.2019 0.3003
Brugia malayi TAR-binding protein 0.0067 0.1488 0.4349
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2019 0.7396
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0779 0.1961
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0834 0.0358
Schistosoma mansoni hypothetical protein 0.0164 0.5145 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1488 0.261
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.3166 0.5571
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0958 0.4485
Entamoeba histolytica hypothetical protein 0.0112 0.3166 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.1547 0.1947
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1488 0.1816
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.1547 0.5667
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1488 0.5099
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0958 0.1859
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0084 0.2135 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0779 0.23
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0084 0.2135 1
Brugia malayi Probable ClpP-like protease 0.0081 0.2019 0.6135
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0958 0.0628
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.01 0.2729 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.1488 0.5099
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.01 0.2729 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.4765 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.4174 0.3871
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0084 0.2135 0.1828
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.01 0.2729 0.5118
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2019 0.7396
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 1 1
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0084 0.2135 0.4377
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1547 0.2728
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1488 0.4349
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0677 0.1616
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.4174 0.3108
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.01 0.2729 0.8529
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.01 0.2729 0.4594
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2019 0.7396
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0958 0.1859
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0677 0.1895
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.4174 0.3871
Mycobacterium ulcerans hypothetical protein 0.0154 0.4765 1
Schistosoma mansoni hypothetical protein 0.0112 0.3166 0.6001
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.2019 0.9455
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2019 0.7396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0677 0.097
Entamoeba histolytica hypothetical protein 0.0112 0.3166 0.5
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.01 0.2729 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0779 0.1961
Brugia malayi RNA binding protein 0.0067 0.1488 0.4349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0677 0.097
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1488 0.261
Entamoeba histolytica hypothetical protein 0.0112 0.3166 0.5
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.01 0.2729 0.2351
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1488 0.261
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2019 0.1466
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.01 0.2729 1

Activities

Activity type Activity value Assay description Source 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
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
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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