Detailed information for compound 625067

Basic information

Technical information
  • TDR Targets ID: 625067
  • Name: 2,4-dichloro-N-[[4-(4-fluorophenyl)-5-sulfany lidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
  • MW: 397.254 | Formula: C16H11Cl2FN4OS
  • H donors: 1 H acceptors: 3 LogP: 3.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1c(CNC(=O)c2ccc(cc2Cl)Cl)nnc1S
  • InChi: 1S/C16H11Cl2FN4OS/c17-9-1-6-12(13(18)7-9)15(24)20-8-14-21-22-16(25)23(14)11-4-2-10(19)3-5-11/h1-7H,8H2,(H,20,24)(H,22,25)
  • InChiKey: YPFIYYNZTGETFV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dichloro-N-[[4-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide
  • ZINC04059228

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
Treponema pallidum NADH oxidase 0.0016 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0016 0 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.6806 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2299 0.6262
Brugia malayi hypothetical protein 0.0025 0.0656 0.1788
Plasmodium falciparum glutathione reductase 0.0046 0.2299 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.7701 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.6806 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2299 0.5449
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2299 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2299 0.6262
Plasmodium vivax glutathione reductase, putative 0.0046 0.2299 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.7701 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0656 0.2855
Loa Loa (eye worm) RNA binding protein 0.0064 0.3671 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2312 0.6298
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0656 0.2855
Brugia malayi Thioredoxin reductase 0.0046 0.2299 0.6262
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2312 0.5492
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2312 0.2312
Leishmania major trypanothione reductase 0.0046 0.2299 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3671 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.3671 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.2299 0.5449
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2312 0.2312
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3671 0.3671
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.7701 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3671 0.3671
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0656 0.2855
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.6806 0.8837
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0656 0.2855
Leishmania major hypothetical protein, conserved 0.0025 0.0656 0.2855
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3671 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2312 0.6298
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0656 0.2855
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.6806 0.8837
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3671 1
Brugia malayi TAR-binding protein 0.0064 0.3671 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.2299 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2299 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0656 0.2855
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.7701 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.6806 0.8837
Brugia malayi RNA binding protein 0.0064 0.3671 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2312 0.6298
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3671 0.3671
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3671 0.3671
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0656 0.2855
Trichomonas vaginalis glutathione reductase, putative 0.0016 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2299 0.2985
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2312 0.2312
Toxoplasma gondii thioredoxin reductase 0.0046 0.2299 1
Trypanosoma brucei trypanothione reductase 0.0046 0.2299 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3671 0.3671
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3671 1
Mycobacterium tuberculosis Probable reductase 0.0105 0.6806 0.8837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2312 0.6298
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2312 0.6298
Brugia malayi glutathione reductase 0.0046 0.2299 0.6262

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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