Detailed information for compound 823547

Basic information

Technical information
  • TDR Targets ID: 823547
  • Name: N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphe nyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl] acetamide
  • MW: 423.852 | Formula: C21H18ClN5O3
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nn2c(c1)c(=O)n(nc2)CC(=O)NCc1ccccc1Cl
  • InChi: 1S/C21H18ClN5O3/c1-30-16-8-6-14(7-9-16)18-10-19-21(29)26(24-13-27(19)25-18)12-20(28)23-11-15-4-2-3-5-17(15)22/h2-10,13H,11-12H2,1H3,(H,23,28)
  • InChiKey: RXWVJLZWLDCYII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
  • N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-5-pyrazolo[1,5-d][1,2,4]triazinyl]acetamide
  • N-(2-chlorobenzyl)-2-[4-keto-2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
  • N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-pyrazolo[1,5-d][1,2,4]triazin-5-yl]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 insulin growth factor 1 receptor beta 0.0155 0.3086 0.3086
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0155 0.31 0.31
Loa Loa (eye worm) TK/INSR protein kinase 0.0155 0.3086 0.3057
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0258 0.5298 0.5298
Trypanosoma brucei cdc2-related kinase 1 0.0045 0.0747 0.2411
Loa Loa (eye worm) hypothetical protein 0.0061 0.1095 0.1058
Schistosoma mansoni tyrosine kinase 0.0258 0.5298 0.5298
Entamoeba histolytica protein kinase domain containing protein 0.0092 0.1754 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1724 0.1689
Plasmodium vivax serine/threonine kinase-1, putative 0.0063 0.1126 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.5373 0.5354
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0045 0.0747 0.0709
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0045 0.0747 0.2411
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0237 0.0196
Plasmodium vivax protein kinase Crk2 0.0045 0.0747 0.664
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0155 0.31 1
Echinococcus granulosus cyclin dependent kinase 5 0.0045 0.0747 0.0747
Schistosoma mansoni tyrosine kinase 0.0155 0.3086 0.3086
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0433 0.9029 0.9029
Echinococcus multilocularis 0.0147 0.293 0.293
Brugia malayi Protein kinase domain containing protein 0.0092 0.1754 0.172
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0155 0.31 0.31
Echinococcus granulosus epidermal growth factor receptor 0.0258 0.5298 0.5298
Echinococcus multilocularis Immunoglobulin 0.0012 0.0042 0.0042
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0058 0.1018 0.3283
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0058 0.1018 0.3283
Leishmania major protein kinase, putative 0.0063 0.1126 0.3631
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0747 0.0709
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0012 0.0042 0.0042
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1126 1
Echinococcus multilocularis neuroglian 0.0012 0.0042 0.0042
Echinococcus granulosus defective proboscis extension response 0.0012 0.0042 0.0042
Schistosoma mansoni vesicular amine transporter 0.0012 0.0042 0.0042
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0155 0.31 0.31
Echinococcus granulosus dual specificity 0.0092 0.1754 0.1754
Schistosoma mansoni tyrosine kinase 0.0253 0.5187 0.5187
Echinococcus granulosus cyclin dependent kinase 1 0.0045 0.0747 0.0747
Trypanosoma brucei cdc2-related kinase 3 0.0045 0.0747 0.2411
Echinococcus granulosus dual specificity protein kinase clk2 0.0063 0.1126 0.1126
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0063 0.1126 0.3631
Loa Loa (eye worm) TK/EGFR protein kinase 0.0479 1 1
Schistosoma mansoni nephrin 0.0012 0.0042 0.0042
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0063 0.1126 0.3631
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0063 0.1126 0.1089
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.0747 0.0747
Leishmania major 0.0155 0.31 1
Brugia malayi Protein kinase domain containing protein 0.0045 0.0747 0.0709
Echinococcus multilocularis roundabout 2 0.0016 0.0125 0.0125
Echinococcus granulosus insulin receptor 0.0155 0.3086 0.3086
Loa Loa (eye worm) hypothetical protein 0.0044 0.0717 0.0678
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0016 0.0125 0.0125
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0063 0.1126 0.3631
Brugia malayi Protein kinase domain containing protein 0.0063 0.1126 0.1089
Echinococcus multilocularis dual specificity protein kinase clk2 0.0063 0.1126 0.1126
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0012 0.0042 0.0042
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0155 0.31 0.3071
Brugia malayi hypothetical protein 0.0125 0.246 0.2429
Loa Loa (eye worm) hypothetical protein 0.0016 0.0125 0.0084
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0045 0.0747 0.2411
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0155 0.31 1
Schistosoma mansoni cell adhesion molecule 0.0016 0.0125 0.0125
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1754 0.1754
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0045 0.0747 0.0747
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0021 0.0237 0.0196
Echinococcus granulosus Immunoglobulin 0.0012 0.0042 0.0042
Schistosoma mansoni tyrosine kinase 0.0479 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0125 0.0084
Loa Loa (eye worm) hypothetical protein 0.0125 0.246 0.2429
Brugia malayi fructose-1,6-bisphosphatase 0.0155 0.31 0.3071
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0063 0.1126 0.3631
Schistosoma mansoni tyrosine kinase 0.0155 0.3086 0.3086
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0262 0.5373 0.5373
Echinococcus granulosus epidermal growth factor receptor 0.0479 1 1
Giardia lamblia Kinase, CMGC CLK 0.0063 0.1126 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0092 0.1754 0.5658
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.0747 0.0747
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0092 0.1754 0.5658
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0063 0.1126 0.3631
Schistosoma mansoni tyrosine kinase 0.0253 0.5187 0.5187
Brugia malayi cell division control protein 2 homolog 0.0045 0.0747 0.0709
Schistosoma mansoni tyrosine kinase 0.0253 0.5187 0.5187
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0058 0.1018 0.3283
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.0747 0.4261
Echinococcus multilocularis insulin receptor 0.0155 0.3086 0.3086
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0155 0.31 1
Entamoeba histolytica protein kinase, putative 0.0092 0.1754 1
Entamoeba histolytica hypothetical protein 0.0092 0.1754 1
Echinococcus granulosus roundabout 2 0.0016 0.0125 0.0125
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0045 0.0747 0.2411
Brugia malayi Protein kinase domain containing protein 0.0155 0.3086 0.3057
Echinococcus granulosus twitchin 0.0013 0.0072 0.0072
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.0747 0.2411
Echinococcus multilocularis epidermal growth factor receptor 0.0258 0.5298 0.5298
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.1126 0.1126
Loa Loa (eye worm) hypothetical protein 0.0125 0.246 0.2429
Plasmodium falciparum protein serine/threonine kinase-1 0.0063 0.1126 1
Echinococcus multilocularis 0.0061 0.1095 0.1095
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0262 0.5373 0.5373
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0092 0.1754 0.5658
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.1126 0.1126
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0747 0.0747
Echinococcus granulosus hypothetical protein 0.0061 0.1095 0.1095
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.0747 0.4261
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0092 0.1754 0.172
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0063 0.1126 0.3631
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0747 0.0747
Echinococcus multilocularis cyclin dependent kinase 5 0.0045 0.0747 0.0747
Schistosoma mansoni tyrosine kinase 0.0258 0.5298 0.5298
Echinococcus multilocularis dual specificity 0.0092 0.1754 0.1754
Echinococcus multilocularis epidermal growth factor receptor 0.0479 1 1
Echinococcus granulosus neuroglian 0.0012 0.0042 0.0042
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0155 0.3086 0.3086
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.0747 0.2411
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0262 0.5373 0.5373
Entamoeba histolytica protein kinase, putative 0.0092 0.1754 1
Plasmodium falciparum protein kinase 5 0.0045 0.0747 0.664
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0012 0.0042 0.0042
Toxoplasma gondii fructose-bisphospatase I 0.0058 0.1018 0.3283
Echinococcus granulosus cyclin dependent kinase 0.0045 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.0016 0.0125 0.0084
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0747 0.0709
Leishmania major protein kinase, putative 0.0063 0.1126 0.3631
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0058 0.1018 0.3283
Echinococcus multilocularis Immunoglobulin 0.0012 0.0042 0.0042
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0092 0.1754 0.5658
Toxoplasma gondii fructose-bisphospatase II 0.0155 0.31 1
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.0747 0.2411
Echinococcus multilocularis cyclin dependent kinase 0.0045 0.0747 0.0747
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.0747 0.2411
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0063 0.1126 0.3631
Loa Loa (eye worm) hypothetical protein 0.0091 0.1724 0.1689

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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