Detailed information for compound 828062

Basic information

Technical information
  • TDR Targets ID: 828062
  • Name: 1-[5-[(4-chlorophenyl)methylamino]-3-furan-2- yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
  • MW: 344.795 | Formula: C17H17ClN4O2
  • H donors: 1 H acceptors: 3 LogP: 4.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CNc1nc(nn1C(=O)C(C)C)c1ccco1
  • InChi: 1S/C17H17ClN4O2/c1-11(2)16(23)22-17(19-10-12-5-7-13(18)8-6-12)20-15(21-22)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3,(H,19,20,21)
  • InChiKey: BIGIDRXULDKSPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-[(4-chlorophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one
  • 1-[5-[(4-chlorophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one
  • 1-[5-[(4-chlorobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one
  • 1-[5-[(4-chlorophenyl)methylamino]-3-furan-2-yl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one

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
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0779 0.0612 0.0612
Schistosoma mansoni pyruvate dehydrogenase 0.2418 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.1053 0.2181 0.2181
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.074 0.0387 0.5
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Plasmodium vivax endoplasmin, putative 0.1053 0.2181 0.5
Trypanosoma brucei developmentally regulated phosphoprotein 0.2418 1 1
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Giardia lamblia Heat shock protein HSP 90-alpha 0.1053 0.2181 1
Trichomonas vaginalis heat shock protein, putative 0.074 0.0387 0.128
Leishmania major developmentally regulated phosphoprotein-like protein 0.2418 1 1
Entamoeba histolytica heat shock protein 90, putative 0.1053 0.2181 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.2105 0.8206 0.7705
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trypanosoma brucei Heat shock protein 83, putative 0.1053 0.2181 0.1671
Toxoplasma gondii heat shock protein 90, putative 0.1053 0.2181 0.8745
Loa Loa (eye worm) hypothetical protein 0.2418 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.074 0.0387 0.0387
Toxoplasma gondii heat shock protein HSP90 0.1053 0.2181 0.8745
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.074 0.0387 0.5
Echinococcus multilocularis heat shock protein 0.1053 0.2181 0.1866
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2418 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.2105 0.8206 0.7705
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.2418 1 1
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1093 0.2406 1
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0779 0.0612 0.0234
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trypanosoma cruzi Heat shock protein 83, putative 0.1053 0.2181 0.2181
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Trypanosoma brucei heat shock protein 90, putative 0.1053 0.2181 0.1671
Treponema pallidum heat shock protein 90 0.074 0.0387 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.074 0.0387 0.0387
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Entamoeba histolytica heat shock protein 90, putative 0.1053 0.2181 0.5
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Plasmodium falciparum heat shock protein 90 0.1053 0.2181 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.074 0.0387 0.5
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Trypanosoma cruzi heat shock protein 90, putative 0.1053 0.2181 0.2181
Echinococcus granulosus heat shock protein 0.1053 0.2181 0.1866
Plasmodium vivax heat shock protein 86, putative 0.1053 0.2181 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.1053 0.2181 0.2181
Trypanosoma brucei heat shock protein 90, putative 0.1053 0.2181 0.1671
Trichomonas vaginalis heat shock protein, putative 0.074 0.0387 0.128
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trichomonas vaginalis heat shock protein, putative 0.074 0.0387 0.128
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.2418 1 1
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Mycobacterium ulcerans heat shock protein 90 0.074 0.0387 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.1053 0.2181 0.2181
Echinococcus granulosus heat shock protein 90 0.1053 0.2181 0.1866
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2418 1 1
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trichomonas vaginalis heat shock protein, putative 0.1053 0.2181 1
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Leishmania major heat shock protein 83-1 0.1053 0.2181 0.1866
Trypanosoma brucei heat shock protein, putative 0.1053 0.2181 0.1671
Echinococcus multilocularis heat shock protein 90 0.1053 0.2181 0.1866

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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