Detailed information for compound 156313

Basic information

Technical information
  • TDR Targets ID: 156313
  • Name: 3-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-5 -one
  • MW: 223.659 | Formula: C10H10ClN3O
  • H donors: 1 H acceptors: 3 LogP: 1.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(O)nnc1c1ccc(cc1)Cl
  • InChi: 1S/C10H10ClN3O/c1-2-14-9(12-13-10(14)15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,13,15)
  • InChiKey: PXINDYJACXPZIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-chlorophenyl)-4-ethyl-2H-1,2,4-triazol-3-one
  • 31409-32-2
  • MDL-27192

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 thymidylate kinase, putative 0.0358 0.5 0.5
Trypanosoma brucei thymidylate kinase, putative 0.0358 0.5 0.5
Onchocerca volvulus Putative thymidylate kinase 0.0358 0.5 0.5
Loa Loa (eye worm) thymidylate kinase 0.0358 0.5 0.5
Trypanosoma cruzi thymidylate kinase, putative 0.0358 0.5 0.5
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0358 0.5 0.5
Plasmodium falciparum thymidylate kinase 0.0358 0.5 0.5
Toxoplasma gondii thymidylate kinase 0.0358 0.5 0.5
Treponema pallidum thymidylate kinase (tmk) 0.0358 0.5 0.5
Entamoeba histolytica Thymidylate kinase, putative 0.0358 0.5 0.5
Schistosoma mansoni thymidylate kinase 0.0358 0.5 0.5
Schistosoma mansoni thymidylate kinase 0.0358 0.5 0.5
Echinococcus granulosus thymidylate kinase 0.0358 0.5 0.5
Giardia lamblia CDC8 0.0358 0.5 0.5
Plasmodium vivax thymidylate kinase, putative 0.0358 0.5 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0358 0.5 0.5
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0358 0.5 0.5
Mycobacterium ulcerans thymidylate kinase 0.0358 0.5 0.5
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0358 0.5 0.5
Leishmania major thymidylate kinase-like protein 0.0358 0.5 0.5
Trypanosoma brucei thymidylate kinase, putative 0.0358 0.5 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0358 0.5 0.5
Echinococcus multilocularis thymidylate kinase 0.0358 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0358 0.5 0.5
Chlamydia trachomatis thymidylate kinase 0.0358 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 25 mg kg-1 Tested for inhibition of pentylenetetrazole induced seizures in mice; Value is 1/16 of the LD50 range ChEMBL. 2170646
Activity (functional) = 25 mg kg-1 Tested for inhibition of pentylenetetrazole induced seizures in mice; Value is 1/16 of the LD50 range ChEMBL. 2170646
Damage score (functional) = 0.33 Tested for its effect on hippocampal neuronal damage in gerbils activity ChEMBL. 2170646
Damage score (functional) = 2.64 Tested for its effect on Hypoxia induced neuronal damage ChEMBL. 2170646
ED50 (functional) ~ 51 mg kg-1 Tested for inhibition of quinolinic-induced seizures in mice. ChEMBL. 2170646
ED50 (functional) ~ 51 mg kg-1 Tested for inhibition of quinolinic-induced seizures in mice. ChEMBL. 2170646
IC50 (binding) > 100 uM In vitro binding affinity for GABA-A receptor in rat cortical or hippocampal membranes using [3H]-flunitrazepam ChEMBL. 2170646
IC50 (binding) > 100 uM Inhibition of [3H]-CPP binding to N-methyl-D-aspartate glutamate receptor of rat cortical or hippocampal membranes ChEMBL. 2170646
IC50 (binding) > 100 uM In vitro binding affinity for GABA-A receptor in rat cortical or hippocampal membranes using [3H]-flunitrazepam ChEMBL. 2170646
IC50 (binding) > 100 uM Inhibition of [3H]-CPP binding to N-methyl-D-aspartate glutamate receptor of rat cortical or hippocampal membranes ChEMBL. 2170646
LD50 (functional) = 400 mg kg-1 Tested for acute toxicity in mice after intraperitoneal administration; Value ranges from 200-400 mg/kg ChEMBL. 2170646
LD50 (functional) = 400 mg kg-1 Tested for acute toxicity in mice after intraperitoneal administration; Value ranges from 200-400 mg/kg ChEMBL. 2170646

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

1 literature reference was collected for this gene.

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