Detailed information for compound 222367

Basic information

Technical information
  • TDR Targets ID: 222367
  • Name: N-[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol -2-yl]acetamide
  • MW: 265.355 | Formula: C11H11N3OS2
  • H donors: 1 H acceptors: 3 LogP: 1.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ncc(s1)SCc1cccnc1
  • InChi: 1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-3-2-4-12-5-9/h2-6H,7H2,1H3,(H,13,14,15)
  • InChiKey: OFEMOKVCHIDRJZ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[5-(3-pyridylmethylsulfanyl)thiazol-2-yl]acetamide
  • N-[5-(3-pyridylmethylthio)-2-thiazolyl]acetamide
  • N-[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]ethanamide
  • N-[5-(3-pyridylmethylthio)thiazol-2-yl]acetamide
  • 2-amino-5-thio-substituted thiazole 62

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin E2 Starlite/ChEMBL References

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 voltage gated potassium channel subunit 0.0139 0.2565 0.2565
Brugia malayi NADH-dependent xylose reductase 0.0139 0.2565 0.2565
Onchocerca volvulus 0.0139 0.2565 0.2565
Entamoeba histolytica alcohol dehydrogenase, putative 0.0139 0.2565 0.2565
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0139 0.2565 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0139 0.2565 0.2565
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0858 0.0858
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Echinococcus multilocularis aldo keto reductase 0.0481 1 1
Loa Loa (eye worm) oxidoreductase 0.0481 1 1
Entamoeba histolytica aldose reductase, putative 0.0481 1 1
Giardia lamblia Aldose reductase 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0139 0.2565 0.2565
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0858 0.0858
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Mycobacterium ulcerans oxidoreductase 0.0481 1 1
Trypanosoma cruzi aldo-keto reductase 0.0481 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0481 1 1
Schistosoma mansoni potassium channel beta 0.0139 0.2565 0.2565
Trypanosoma brucei aldo-keto reductase, putative 0.0481 1 1
Echinococcus granulosus aldo keto reductase 0.0481 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0139 0.2565 0.2565
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0481 1 1
Loa Loa (eye worm) oxidoreductase 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0139 0.2565 0.2565
Entamoeba histolytica aldose reductase, putative 0.0481 1 1
Schistosoma mansoni pol-related 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Loa Loa (eye worm) hypothetical protein 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0139 0.2565 0.2565
Echinococcus granulosus hypothetical protein 0.0481 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0139 0.2565 0.2565
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Plasmodium vivax aldehyde reductase, putative 0.0139 0.2565 0.5
Loa Loa (eye worm) oxidoreductase 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Loa Loa (eye worm) oxidoreductase 0.0481 1 1
Leishmania major prostaglandin f synthase, putative 0.0481 1 1
Mycobacterium tuberculosis Conserved protein 0.0139 0.2565 0.1867
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0481 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0858 0.0858
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0481 1 1
Echinococcus granulosus aldo keto reductase 0.0481 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0139 0.2565 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Giardia lamblia Aldose reductase 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Entamoeba histolytica aldose reductase, putative 0.0481 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0139 0.2565 0.1867
Leishmania major aldo-keto reductase-like protein 0.0481 1 1
Echinococcus granulosus aldo keto reductase 0.0481 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0481 1 1
Echinococcus multilocularis aldo keto reductase 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0139 0.2565 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.2565 0.2565
Entamoeba histolytica alcohol dehydrogenase, putative 0.0139 0.2565 0.2565
Echinococcus multilocularis aldo keto reductase 0.0481 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0139 0.2565 0.2565
Echinococcus multilocularis aldehyde reductase 0.0341 0.6968 0.6968
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0481 1 1
Toxoplasma gondii aldo-keto reductase 0.0139 0.2565 0.1867
Onchocerca volvulus 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Mycobacterium ulcerans hypothetical protein 0.0139 0.2565 0.1867
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Echinococcus granulosus aldehyde reductase 0.0341 0.6968 0.6968
Trypanosoma brucei prostaglandin f synthase 0.0481 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0858 0.0858
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0139 0.2565 0.1867
Schistosoma mansoni aldo-keto reductase 0.0481 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0481 1 1
Echinococcus multilocularis aldo keto reductase 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0341 0.6968 0.5922
Schistosoma mansoni aldo-keto reductase 0.0481 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0139 0.2565 0.2565
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0481 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0139 0.2565 0.2565
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0858 0.0858
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0139 0.2565 0.2565
Toxoplasma gondii aldose reductase, putative 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0481 1 1
Loa Loa (eye worm) oxidoreductase 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0481 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0139 0.2565 0.2565

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.68 uM Inhibitory activity against baculovirus expressed Cyclin dependent kinase 2-cyclinE ChEMBL. 12190313
IC50 (binding) = 0.68 uM Inhibitory activity against baculovirus expressed Cyclin dependent kinase 2-cyclinE ChEMBL. 12190313

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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