Detailed information for compound 220792

Basic information

Technical information
  • TDR Targets ID: 220792
  • Name: N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-y l]acetamide
  • MW: 232.323 | Formula: C8H12N2O2S2
  • H donors: 1 H acceptors: 2 LogP: 1.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCSc1cnc(s1)NC(=O)C
  • InChi: 1S/C8H12N2O2S2/c1-6(11)10-8-9-5-7(14-8)13-4-3-12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
  • InChiKey: OEJQKSUNTTYOTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(2-methoxyethylsulfanyl)thiazol-2-yl]acetamide
  • N-[5-(2-methoxyethylthio)-2-thiazolyl]acetamide
  • N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]ethanamide
  • N-[5-(2-methoxyethylthio)thiazol-2-yl]acetamide
  • 2-amino-5-thio-substituted thiazole 70

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 multilocularis JmjC domain containing protein 4 0.0016 0.0228 0.0213
Echinococcus multilocularis cpg binding protein 0.0031 0.0593 0.0578
Schistosoma mansoni hypothetical protein 0.0419 1 1
Trichomonas vaginalis cyclin B, putative 0.0021 0.0358 0.2329
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0975 0.0961
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0402 0.0387
Brugia malayi jmjC domain containing protein 0.0016 0.0228 0.0551
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0358 0.0966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0975 0.0961
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.2383 0.2371
Brugia malayi Carboxylesterase family protein 0.0138 0.3175 1
Toxoplasma gondii melibiase subfamily protein 0.0105 0.2383 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.0358 0.0343
Brugia malayi jmjC domain containing protein 0.0016 0.0228 0.0551
Brugia malayi intermediate filament protein 0.0028 0.0508 0.1449
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0402 0.0387
Echinococcus granulosus phd:f box containing protein 0.0016 0.0228 0.0213
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.0358 0.0343
Toxoplasma gondii hypothetical protein 0.0016 0.0232 0.0154
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.119 0.4539
Echinococcus granulosus intermediate filament protein 0.0028 0.0508 0.0493
Echinococcus granulosus cyclins 0.0021 0.0358 0.0343
Trypanosoma cruzi cyclin 6, putative 0.0021 0.0358 1
Onchocerca volvulus 0.0023 0.0402 0.0245
Loa Loa (eye worm) carboxylesterase 0.0138 0.3175 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0269 0.0253
Trichomonas vaginalis cyclins, putative 0.0021 0.0358 0.2329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0975 0.0961
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0162 0.0146
Loa Loa (eye worm) hypothetical protein 0.0016 0.0228 0.0542
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0015 0.0199 0.0183
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0402 0.0387
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.1299 0.1286
Echinococcus granulosus cyclin B 0.0021 0.0358 0.0343
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0097 0.218 0.2167
Loa Loa (eye worm) hypothetical protein 0.0097 0.218 0.6805
Echinococcus granulosus lamin dm0 0.0028 0.0508 0.0493
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0197 0.0443
Brugia malayi jmjC domain containing protein 0.0062 0.134 0.4117
Echinococcus granulosus cpg binding protein 0.0031 0.0593 0.0578
Echinococcus multilocularis lamin dm0 0.0028 0.0508 0.0493
Echinococcus granulosus acetylcholinesterase 0.0138 0.3175 0.3164
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0228 0.0213
Schistosoma mansoni gliotactin 0.0023 0.0402 0.0387
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0105 0.2383 0.2371
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0402 0.2619
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0402 0.0387
Trichomonas vaginalis cyclins, putative 0.0021 0.0358 0.2329
Loa Loa (eye worm) hypothetical protein 0.0016 0.0228 0.0542
Echinococcus granulosus carboxylesterase 5A 0.0138 0.3175 0.3164
Trypanosoma cruzi cyclin, putative 0.0021 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Loa Loa (eye worm) hypothetical protein 0.0013 0.0162 0.0329
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0138 0.3175 0.3164
Loa Loa (eye worm) hypothetical protein 0.0138 0.3175 1
Schistosoma mansoni jumonji domain containing protein 0.006 0.1299 0.1286
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.1299 0.1286
Echinococcus granulosus lamin 0.0028 0.0508 0.0493
Onchocerca volvulus 0.0023 0.0402 0.0245
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0508 0.1449
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0402 0.2619
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.1299 0.1286
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0508 0.1442
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0269 0.0253
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Loa Loa (eye worm) hypothetical protein 0.0016 0.0228 0.0542
Trichomonas vaginalis cyclin D, putative 0.0021 0.0358 0.2329
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 0.0358 0.0958
Trichomonas vaginalis cyclin A, putative 0.0021 0.0358 0.2329
Onchocerca volvulus 0.009 0.2027 0.9162
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Echinococcus multilocularis acetylcholinesterase 0.0138 0.3175 0.3164
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0975 0.0961
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0228 0.0135
Schistosoma mansoni acetylcholinesterase 0.0023 0.0402 0.0387
Trichomonas vaginalis cyclin B3, putative 0.0021 0.0358 0.2329
Onchocerca volvulus 0.0023 0.0402 0.0245
Giardia lamblia G2/mitotic-specific cyclin B 0.0021 0.0358 0.5
Schistosoma mansoni cpg binding protein 0.0029 0.0552 0.0537
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0197 0.0452
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Echinococcus granulosus cyclin B3 1 0.0021 0.0358 0.0343
Schistosoma mansoni intermediate filament proteins 0.0028 0.0508 0.0493
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0402 0.0387
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0358 0.0966
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0358 0.0966
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Onchocerca volvulus 0.0023 0.0402 0.0245
Trichomonas vaginalis cyclin B, putative 0.0021 0.0358 0.2329
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Giardia lamblia Hypothetical protein 0.0021 0.0358 0.5
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0228 0.0213
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0975 0.2939
Schistosoma mansoni lamin 0.0028 0.0508 0.0493
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.134 0.4111
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Brugia malayi Melibiase family protein 0.007 0.1535 0.4742
Echinococcus multilocularis neuroligin 0.0023 0.0402 0.0387
Plasmodium vivax JmjC domain containing protein 0.0016 0.0228 0.5
Trichomonas vaginalis cyclin B, putative 0.0021 0.0358 0.2329
Echinococcus granulosus acetylcholinesterase 0.0138 0.3175 0.3164
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0162 0.0146
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0975 0.2945
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0975 0.0961
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0228 0.0213
Onchocerca volvulus 0.0023 0.0402 0.0245
Loa Loa (eye worm) hypothetical protein 0.0138 0.3175 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0508 0.1442
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0228 0.0213
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0228 0.0542
Loa Loa (eye worm) hypothetical protein 0.0097 0.218 0.6805
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0105 0.2383 0.2371
Trichomonas vaginalis cyclin B, putative 0.0021 0.0358 0.2329
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0097 0.218 0.2167
Echinococcus multilocularis acetylcholinesterase 0.0138 0.3175 0.3164
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0402 0.0387
Trichomonas vaginalis cyclins, putative 0.0021 0.0358 0.2329
Echinococcus multilocularis lamin 0.0028 0.0508 0.0493
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0228 0.0213
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0228 0.0542
Trypanosoma brucei mitotic cyclin 6 0.0021 0.0358 1
Trichomonas vaginalis cyclins, putative 0.0021 0.0358 0.2329
Brugia malayi jmjC domain containing protein 0.0016 0.0228 0.0551
Loa Loa (eye worm) hypothetical protein 0.007 0.1535 0.4737
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Loa Loa (eye worm) carboxylesterase 0.0023 0.0402 0.1101
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0402 0.0387
Echinococcus granulosus cyclins 0.0021 0.0358 0.0343
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0552 0.1581
Loa Loa (eye worm) hypothetical protein 0.0027 0.0496 0.1402
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0402 0.5
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Schistosoma mansoni cyclin B3 0.0021 0.0358 0.0343
Schistosoma mansoni cyclin B 0.0021 0.0358 0.0343
Loa Loa (eye worm) carboxylesterase 0.0023 0.0402 0.1101
Plasmodium falciparum cyclin 0.0021 0.0358 1
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Brugia malayi Trypsin family protein 0.0097 0.218 0.6808
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Echinococcus granulosus neuroligin 0.0023 0.0402 0.0387
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0228 0.0213
Brugia malayi Carboxylesterase family protein 0.0138 0.3175 1
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.134 0.1327
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.2383 0.2371
Echinococcus multilocularis carboxylesterase 5A 0.0138 0.3175 0.3164
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.1535 0.1522
Echinococcus multilocularis cyclins 0.0021 0.0358 0.0343
Brugia malayi jmjC domain containing protein 0.006 0.1299 0.3986
Trichomonas vaginalis cyclins, putative 0.0021 0.0358 0.2329
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0228 0.0213
Loa Loa (eye worm) hypothetical protein 0.0013 0.0149 0.029
Schistosoma mansoni lamin 0.0028 0.0508 0.0493
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0402 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0402 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0975 0.0961
Onchocerca volvulus 0.0028 0.0508 0.0827
Loa Loa (eye worm) acetylcholinesterase 1 0.0138 0.3175 1
Giardia lamblia Cyclin A 0.0021 0.0358 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0358 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0358 0.2329
Onchocerca volvulus 0.0028 0.0508 0.0827
Echinococcus granulosus cyclins 0.0021 0.0358 0.0343
Entamoeba histolytica cyclin, putative 0.0021 0.0358 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.134 0.1327
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0228 0.0213
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.2383 0.2371
Entamoeba histolytica cyclin, putative 0.0021 0.0358 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0358 0.0958
Entamoeba histolytica cyclin family protein 0.0021 0.0358 0.5
Echinococcus granulosus cyclins 0.0021 0.0358 0.0343
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0402 0.0387
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.007 0.1535 1
Trichomonas vaginalis cyclin B, putative 0.0021 0.0358 0.2329
Echinococcus multilocularis musashi 0.0028 0.0508 0.0493
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0402 0.0387
Onchocerca volvulus 0.0097 0.218 1
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0228 0.0213
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.1101
Echinococcus granulosus cyclins 0.0021 0.0358 0.0343
Trypanosoma cruzi cyclin, putative 0.0021 0.0358 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0021 0.0358 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0021 0.0358 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0552 0.1589
Loa Loa (eye worm) hypothetical protein 0.0028 0.0508 0.1442
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0228 0.0542
Onchocerca volvulus 0.0029 0.0552 0.1066
Brugia malayi hypothetical protein 0.0023 0.0402 0.1109
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0402 0.0387
Entamoeba histolytica cyclin family protein 0.0021 0.0358 0.5
Leishmania major cyclin 0.0021 0.0358 1
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0228 0.0213
Loa Loa (eye worm) hypothetical protein 0.0013 0.0149 0.029
Echinococcus multilocularis cyclin b3 0.0021 0.0358 0.0343
Trichomonas vaginalis cyclin D, putative 0.0021 0.0358 0.2329
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.1535 0.1522
Echinococcus granulosus cyclin b3 0.0021 0.0358 0.0343
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1352 0.1338
Brugia malayi Carboxylesterase family protein 0.0023 0.0402 0.1109
Brugia malayi Carboxylesterase family protein 0.0023 0.0402 0.1109
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0105 0.2383 0.2371
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0228 0.0213
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0402 0.5
Schistosoma mansoni cyclins 0.0021 0.0358 0.0343
Echinococcus multilocularis dnaJ subfamily B 0.0419 1 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0228 0.0135
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.134 0.1327
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.2383 0.2371
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0402 0.0387
Echinococcus multilocularis cyclin B3 1 0.0021 0.0358 0.0343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0975 0.0961
Brugia malayi Carboxylesterase family protein 0.0023 0.0402 0.1109
Brugia malayi jmjC domain containing protein 0.0016 0.0228 0.0551
Brugia malayi Carboxylesterase family protein 0.0023 0.0402 0.1109
Echinococcus multilocularis cyclin B 0.0021 0.0358 0.0343

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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