Detailed information for compound 970418

Basic information

Technical information
  • TDR Targets ID: 970418
  • Name: 3-chloro-5-(4-chlorophenyl)-2,6-dimethyl-1H-p yridin-4-one
  • MW: 268.139 | Formula: C13H11Cl2NO
  • H donors: 1 H acceptors: 1 LogP: 3.99 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1c(C)[nH]c(c(c1=O)Cl)C
  • InChi: 1S/C13H11Cl2NO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17)
  • InChiKey: RUEDQHJGDJIHAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-5-(4-chlorophenyl)-2,6-dimethyl-4-pyridone

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
Onchocerca volvulus 0.0026493 0 0.5
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0026493 0 0.5
Leishmania major fatty acid transporter protein-like protein 0.085946 0.969175 1
Echinococcus granulosus long chain fatty acid transport protein 4 0.0861141 0.97113 1
Toxoplasma gondii propionate-CoA ligase 0.0026493 0 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0026493 0 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0026493 0 0.5
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0026493 0 0.5
Brugia malayi AMP-binding enzyme family protein 0.0885953 1 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0885953 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026493 0 0.5
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0861141 0.97113 1
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0861141 0.97113 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0885953 1 1
Schistosoma mansoni FFA transport protein 0.0861141 0.97113 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026493 0 0.5
Onchocerca volvulus 0.0026493 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0214677 0.218956 0.225466
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.085946 0.969175 1
Schistosoma mansoni neuropeptide receptor 0.0214677 0.218956 0.225466
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0026493 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0214677 0.218956 0.225466
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0861141 0.97113 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0026493 0 0.5
Onchocerca volvulus 0.0026493 0 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0026493 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0214677 0.218956 0.225466
Onchocerca volvulus 0.0026493 0 0.5
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0026493 0 0.5
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0026493 0 0.5
Onchocerca volvulus 0.0026493 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.085946 0.969175 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0026493 0 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 20 mg kg-1 Antimalarial activity as reduced parasitaemia against Plasmodium yoelii YM in CD1 mice (Mus musculus) after 7 peroral doses over 4 days ChEMBL. 18396855
IC50 (functional) = 2.5 uM Antimalarial activity against Plasmodium falciparum T9-96 infected Rhesus positive human erythrocytes by [3H]hypoxanthine uptake ChEMBL. 18396855

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18396855

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.