Detailed information for compound 222168

Basic information

Technical information
  • TDR Targets ID: 222168
  • Name: N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl] acetamide
  • MW: 258.403 | Formula: C11H18N2OS2
  • H donors: 1 H acceptors: 2 LogP: 3.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(CSc1cnc(s1)NC(=O)C)CC
  • InChi: 1S/C11H18N2OS2/c1-4-9(5-2)7-15-10-6-12-11(16-10)13-8(3)14/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)
  • InChiKey: MQJCOGRDOCUYCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(2-ethylbutylsulfanyl)thiazol-2-yl]acetamide
  • N-[5-(2-ethylbutylthio)-2-thiazolyl]acetamide
  • N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]ethanamide
  • N-[5-(2-ethylbutylthio)thiazol-2-yl]acetamide
  • 2-amino-5-thio-substituted thiazole 68

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
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Toxoplasma gondii cytochrome c, putative 0.0034 0.0314 0.2094
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.035 0.0819
Loa Loa (eye worm) carboxylesterase 0.0036 0.0351 0.0261
Echinococcus granulosus cyclins 0.0021 0.0093 0.0073
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0093 0.0025
Brugia malayi Carboxylesterase family protein 0.0036 0.0351 0.0285
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Mycobacterium tuberculosis Carboxylesterase LipT 0.0036 0.0351 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0036 0.0351 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0036 0.0351 0.0823
Loa Loa (eye worm) hypothetical protein 0.0212 0.3511 0.345
Schistosoma mansoni acetylcholinesterase 0.0036 0.0351 0.0823
Entamoeba histolytica hypothetical protein 0.0036 0.035 1
Schistosoma mansoni cyclin B3 0.0021 0.0093 0.0073
Schistosoma mansoni hypothetical protein 0.0072 0.0999 0.2705
Echinococcus granulosus neuroligin 0.0036 0.0351 0.0823
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Echinococcus granulosus cyclins 0.0021 0.0093 0.0073
Entamoeba histolytica hypothetical protein 0.0036 0.035 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0036 0.0351 0.0823
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.002 0.0068 0.0451
Trypanosoma cruzi cyclin 6, putative 0.0021 0.0093 0.0174
Loa Loa (eye worm) acetylcholinesterase 1 0.0212 0.3511 0.345
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.0306 0.0693
Echinococcus multilocularis cyclin b3 0.0021 0.0093 0.0073
Plasmodium vivax cytochrome c, putative 0.01 0.1501 1
Echinococcus multilocularis cyclin B3 1 0.0021 0.0093 0.0073
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.0306 0.0693
Onchocerca volvulus 0.0036 0.0351 0.2851
Schistosoma mansoni cyclin B 0.0021 0.0093 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0033 0.0306 0.024
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0021 0.0093 0.0174
Onchocerca volvulus 0.0036 0.0351 0.2851
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Loa Loa (eye worm) hypothetical protein 0.0033 0.0306 0.0216
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0072 0.0999 0.0915
Echinococcus granulosus cyclin B 0.0021 0.0093 0.0073
Echinococcus granulosus cyclin B3 1 0.0021 0.0093 0.0073
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0036 0.0351 0.0823
Echinococcus granulosus cyclins 0.0021 0.0093 0.0073
Leishmania major cytochrome c, putative 0.01 0.1501 1
Echinococcus multilocularis acetylcholinesterase 0.0212 0.3511 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Brugia malayi hypothetical protein 0.0036 0.035 0.0284
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0036 0.0351 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.035 0.0819
Trypanosoma cruzi cytochrome c, putative 0.01 0.1501 1
Echinococcus granulosus acetylcholinesterase 0.0212 0.3511 1
Echinococcus granulosus carboxylesterase 5A 0.0212 0.3511 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Echinococcus granulosus ectonucleotide 0.0028 0.0212 0.042
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0028 0.0212 0.042
Echinococcus granulosus cyclin b3 0.0021 0.0093 0.0073
Onchocerca volvulus 0.0033 0.0306 0.2358
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0093 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Loa Loa (eye worm) hypothetical protein 0.0033 0.0306 0.0216
Echinococcus multilocularis BC026374 protein (S09 family) 0.0036 0.0351 0.0823
Trypanosoma cruzi CYC2-like cyclin, putative 0.0021 0.0093 0.0174
Echinococcus multilocularis ectonucleotide 0.0028 0.0212 0.042
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Trichomonas vaginalis spcc417.12 protein, putative 0.0036 0.0351 1
Echinococcus multilocularis cytochrome c 0.01 0.1501 0.4164
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.0093 0.0073
Echinococcus granulosus cyclins 0.0021 0.0093 0.0073
Echinococcus granulosus cyclins 0.0021 0.0093 0.0073
Loa Loa (eye worm) hypothetical protein 0.0574 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.0306 0.0693
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.035 0.0819
Brugia malayi Carboxylesterase family protein 0.0212 0.3511 0.3467
Brugia malayi hypothetical protein 0.0036 0.0351 0.0285
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrC (cytochrome C subunit) 0.0034 0.0314 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Giardia lamblia Cyclin A 0.0021 0.0093 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0021 0.0093 0.5
Echinococcus granulosus acetylcholinesterase 0.0212 0.3511 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.0093 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Brugia malayi Carboxylesterase family protein 0.0036 0.0351 0.0285
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Echinococcus multilocularis neuroligin 0.0036 0.0351 0.0823
Mycobacterium ulcerans carboxylesterase, LipT 0.0036 0.0351 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0036 0.0351 0.0823
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Trypanosoma cruzi cyclin, putative 0.0021 0.0093 0.0174
Echinococcus multilocularis carboxylesterase 5A 0.0212 0.3511 1
Trypanosoma brucei cytochrome c 0.01 0.1501 1
Plasmodium falciparum cytochrome c, putative 0.01 0.1501 1
Loa Loa (eye worm) carboxylesterase 0.0212 0.3511 0.345
Leishmania major cytochrome c, putative 0.01 0.1501 1
Trypanosoma brucei mitotic cyclin 6 0.0021 0.0093 0.0174
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Trypanosoma cruzi cyclin, putative 0.0021 0.0093 0.0174
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Onchocerca volvulus 0.0036 0.0351 0.2851
Schistosoma mansoni cytochrome c 0.01 0.1501 0.4164
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0036 0.0351 0.0823
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Entamoeba histolytica hypothetical protein 0.0036 0.035 1
Schistosoma mansoni gliotactin 0.0036 0.0351 0.0823
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0028 0.0212 0.042
Plasmodium falciparum cytochrome c, putative 0.0034 0.0314 0.1574
Trypanosoma cruzi cytochrome c, putative 0.01 0.1501 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0093 0.0025
Echinococcus multilocularis cyclins 0.0021 0.0093 0.0073
Onchocerca volvulus 0.0033 0.0306 0.2358
Toxoplasma gondii cytochrome c, putative 0.01 0.1501 1
Echinococcus granulosus cytochrome c 0.01 0.1501 0.4164
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0212 0.3511 1
Schistosoma mansoni hypothetical protein 0.0036 0.035 0.0819
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0036 0.0351 0.0823
Onchocerca volvulus 0.0072 0.0999 1
Leishmania major cyclin 0.0021 0.0093 0.0174
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0036 0.0351 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.0306 0.0693
Loa Loa (eye worm) carboxylesterase 0.0036 0.0351 0.0261
Loa Loa (eye worm) hypothetical protein 0.0028 0.0212 0.0121
Brugia malayi Carboxylesterase family protein 0.0212 0.3511 0.3467
Loa Loa (eye worm) cytochrome c type-1 0.01 0.1501 0.1422
Entamoeba histolytica hypothetical protein 0.0036 0.035 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0036 0.0351 0.0823
Brugia malayi Carboxylesterase family protein 0.0036 0.0351 0.0285
Loa Loa (eye worm) hypothetical protein 0.0033 0.0306 0.0216
Brugia malayi Carboxylesterase family protein 0.0036 0.0351 0.0285
Giardia lamblia Hypothetical protein 0.0021 0.0093 0.5
Loa Loa (eye worm) hypothetical protein 0.0212 0.3511 0.345
Onchocerca volvulus 0.0036 0.0351 0.2851
Brugia malayi Thrombospondin type 1 domain containing protein 0.0072 0.0999 0.0938
Onchocerca volvulus 0.0036 0.0351 0.2851
Schistosoma mansoni cyclins 0.0021 0.0093 0.0073
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Echinococcus multilocularis cyclin B 0.0021 0.0093 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0261
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.0306 0.0693
Brugia malayi Cytochrome c type-1 0.01 0.1501 0.1443
Echinococcus granulosus para nitrobenzyl esterase 0.0036 0.0351 0.0823
Echinococcus multilocularis acetylcholinesterase 0.0212 0.3511 1
Echinococcus granulosus BC026374 protein S09 family 0.0036 0.0351 0.0823
Schistosoma mansoni neuroligin 3 (S09 family) 0.0036 0.0351 0.0823
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.01 0.1501 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1 uM Inhibitory activity against baculovirus expressed Cyclin dependent kinase 2-cyclinE ChEMBL. 12190313
IC50 (binding) > 1 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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