Detailed information for compound 772513

Basic information

Technical information
  • TDR Targets ID: 772513
  • Name: 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-et hoxyphenyl)-2H-1,2,4-triazole-3-thione
  • MW: 349.838 | Formula: C15H16ClN5OS
  • H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)n1c(S)nnc1c1nn(c(c1Cl)C)C
  • InChi: 1S/C15H16ClN5OS/c1-4-22-11-7-5-10(6-8-11)21-14(17-18-15(21)23)13-12(16)9(2)20(3)19-13/h5-8H,4H2,1-3H3,(H,18,23)
  • InChiKey: LCYLXCFNKDTOIB-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-(4-ethoxyphenyl)-2H-1,2,4-triazole-3-thione
  • 5-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-ethoxyphenyl)-2H-1,2,4-triazole-3-thione
  • EU-0049893
  • ZINC00204424
  • AK-968/41169971

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
Schistosoma mansoni hypothetical protein 0.0169 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1663 0.8892
Schistosoma mansoni hypothetical protein 0.0169 1 1
Entamoeba histolytica hypothetical protein 0.0071 0.392 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.1628 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.1871 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0208 0.1109
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.1871 0.1871
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0208 0.0208
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.1871 0.1871
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1663 0.8892
Schistosoma mansoni voltage-gated potassium channel 0.004 0.202 0.202
Schistosoma mansoni inositol monophosphatase 0.0038 0.1871 0.1871
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0032 0.1514 0.8091
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.1812 0.1812
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0208 0.0208
Entamoeba histolytica hypothetical protein 0.0071 0.392 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.1812 0.4623
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.1628 0.5
Loa Loa (eye worm) inositol-1 0.0038 0.1871 1
Entamoeba histolytica hypothetical protein 0.0071 0.392 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.1871 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1871 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1871 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.1871 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.1812 0.9686
Schistosoma mansoni inositol monophosphatase 0.0038 0.1871 0.1871
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.392 0.392
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0208 0.0208
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1871 0.5
Echinococcus multilocularis geminin 0.0169 1 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.202 0.202
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.1812 0.1812
Brugia malayi hypothetical protein 0.0071 0.392 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0208 0.0208
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.392 0.392
Entamoeba histolytica hypothetical protein 0.0071 0.392 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0208 0.0208
Brugia malayi Inositol-1 0.0038 0.1871 0.4772
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.1871 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.1871 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.392 0.392
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0208 0.0529
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1871 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.392 0.392
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.1871 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.

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