Detailed information for compound 863762

Basic information

Technical information
  • TDR Targets ID: 863762
  • Name: N-(2-chloropyridin-3-yl)-2-[[2-(3-fluoropheny l)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ac etamide
  • MW: 391.847 | Formula: C18H15ClFN3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccnc1Cl)CSCc1nc(oc1C)c1cccc(c1)F
  • InChi: 1S/C18H15ClFN3O2S/c1-11-15(23-18(25-11)12-4-2-5-13(20)8-12)9-26-10-16(24)22-14-6-3-7-21-17(14)19/h2-8H,9-10H2,1H3,(H,22,24)
  • InChiKey: UGJQNBLSWLPLKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chloro-3-pyridyl)-2-[[2-(3-fluorophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]acetamide
  • N-(2-chloro-3-pyridyl)-2-[[2-(3-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
  • N-(2-chloro-3-pyridyl)-2-[[2-(3-fluorophenyl)-5-methyl-oxazol-4-yl]methylthio]acetamide
  • N-(2-chloropyridin-3-yl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]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 multilocularis dihydrolipoamide dehydrogenase 0.0065 0.1183 0.1272
Leishmania major trypanothione reductase 0.0235 0.9241 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0065 0.1183 0.128
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0065 0.1183 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0235 0.9241 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0041 0.0049 0.0053
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0065 0.1183 0.128
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0065 0.1183 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0065 0.1183 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0041 0.0049 0.0053
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0065 0.1183 0.128
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Loa Loa (eye worm) thioredoxin reductase 0.0235 0.9241 1
Brugia malayi glutathione reductase 0.0235 0.9241 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0065 0.1183 1
Loa Loa (eye worm) glutathione reductase 0.0235 0.9241 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0236 0.9303 1
Trypanosoma brucei trypanothione reductase 0.0235 0.9241 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Trypanosoma cruzi trypanothione reductase, putative 0.0235 0.9241 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0065 0.1183 0.5
Brugia malayi Thioredoxin reductase 0.0235 0.9241 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0065 0.1183 0.128
Trichomonas vaginalis mercuric reductase, putative 0.0065 0.1183 1
Schistosoma mansoni hypothetical protein 0.0185 0.6863 0.7377
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0065 0.1183 0.1272
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0065 0.1183 1
Treponema pallidum NADH oxidase 0.0065 0.1183 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0065 0.1183 0.1272
Plasmodium falciparum thioredoxin reductase 0.0235 0.9241 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0065 0.1183 0.128
Toxoplasma gondii NADPH-glutathione reductase 0.0065 0.1183 0.128
Schistosoma mansoni hypothetical protein 0.0185 0.6863 0.7377
Plasmodium falciparum glutathione reductase 0.0235 0.9241 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0065 0.1183 0.128
Trichomonas vaginalis glutathione reductase, putative 0.0065 0.1183 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0065 0.1183 0.128
Trypanosoma cruzi trypanothione reductase, putative 0.0065 0.1183 0.128
Echinococcus granulosus geminin 0.0185 0.6863 0.7377
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0235 0.9241 0.9139
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0065 0.1183 0.128
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0065 0.1183 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0065 0.1183 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0065 0.1183 0.128
Plasmodium vivax glutathione reductase, putative 0.0235 0.9241 1
Toxoplasma gondii thioredoxin reductase 0.0235 0.9241 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0065 0.1183 0.128
Echinococcus multilocularis geminin 0.0185 0.6863 0.7377
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0236 0.9303 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0065 0.1183 0.128

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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