Detailed information for compound 702614

Basic information

Technical information
  • TDR Targets ID: 702614
  • Name: 2-(4-ethylsulfonylphenyl)-N-(1,3-thiazol-2-yl )acetamide
  • MW: 310.392 | Formula: C13H14N2O3S2
  • H donors: 1 H acceptors: 4 LogP: 1.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nccs1
  • InChi: 1S/C13H14N2O3S2/c1-2-20(17,18)11-5-3-10(4-6-11)9-12(16)15-13-14-7-8-19-13/h3-8H,2,9H2,1H3,(H,14,15,16)
  • InChiKey: ZGLOAGNASTUPGH-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-ethylsulfonylphenyl)-N-thiazol-2-yl-acetamide
  • 2-(4-ethylsulfonylphenyl)-N-(2-thiazolyl)acetamide
  • 2-(4-ethylsulfonylphenyl)-N-(1,3-thiazol-2-yl)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
Mycobacterium tuberculosis Conserved protein 0.003 0.1345 0.1345
Echinococcus granulosus ferritin 0.0007 0.0117 0.0108
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0006 0.0042 0.0042
Entamoeba histolytica hypothetical protein 0.0059 0.2886 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0081 0.4045 0.7135
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0006 0.0042 0.0042
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0006 0.0045 0.0004
Trichomonas vaginalis penicillin-binding protein, putative 0.003 0.1345 1
Onchocerca volvulus 0.003 0.1345 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0142 0.0144
Echinococcus multilocularis expressed protein 0.0007 0.0117 0.0108
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.0771 0.5593
Mycobacterium leprae Probable lipase LipE 0.003 0.1345 1
Mycobacterium tuberculosis Probable esterase LipL 0.003 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0021 0.0874 0.1482
Brugia malayi CXXC zinc finger family protein 0.0023 0.097 0.1654
Loa Loa (eye worm) hypothetical protein 0.0026 0.1102 0.1888
Onchocerca volvulus 0.0019 0.0771 0.5593
Loa Loa (eye worm) latrophilin receptor protein 2 0.0026 0.1102 0.1888
Loa Loa (eye worm) intermediate filament protein 0.0022 0.0895 0.152
Mycobacterium ulcerans bacterioferritin BfrB 0.0007 0.0117 0.0577
Echinococcus granulosus smad 0.0008 0.0142 0.0144
Schistosoma mansoni Smad4 0.0008 0.0142 0.0144
Entamoeba histolytica hypothetical protein 0.0059 0.2886 1
Leishmania major hypothetical protein, conserved 0.003 0.1345 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0026 0.1102 0.1522
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.0014 0.051 0.0834
Schistosoma mansoni ferritin 0.0007 0.0117 0.0108
Schistosoma mansoni lamin 0.0022 0.0895 0.1225
Loa Loa (eye worm) beta-lactamase 0.003 0.1345 0.2323
Loa Loa (eye worm) hypothetical protein 0.001 0.0297 0.0454
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0142 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.1345 1
Toxoplasma gondii ABC1 family protein 0.003 0.1345 0.6423
Echinococcus multilocularis Smad4 0.0008 0.0142 0.0144
Schistosoma mansoni hypothetical protein 0.0026 0.1102 0.1522
Entamoeba histolytica acyl-CoA synthetase, putative 0.0019 0.0771 0.2563
Loa Loa (eye worm) hypothetical protein 0.001 0.0276 0.0416
Trichomonas vaginalis ferritin, putative 0.0007 0.0117 0.0748
Loa Loa (eye worm) hypothetical protein 0.0019 0.0771 0.1299
Mycobacterium ulcerans hypothetical protein 0.0019 0.0771 0.5593
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.1345 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.003 0.1345 0.1345
Schistosoma mansoni hypothetical protein 0.0026 0.1102 0.1522
Brugia malayi hypothetical protein 0.0059 0.2886 0.5069
Schistosoma mansoni smad1 5 8 and 0.0008 0.0142 0.0144
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0019 0.0771 0.5593
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0006 0.0042 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0142 0.0178
Brugia malayi MH2 domain containing protein 0.0111 0.5652 1
Entamoeba histolytica hypothetical protein 0.0059 0.2886 1
Schistosoma mansoni lamin 0.0022 0.0895 0.1225
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0468 0.0468
Trypanosoma brucei hypothetical protein, conserved 0.003 0.1345 1
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.0115 0.013
Schistosoma mansoni apoferritin-2 0.0007 0.0117 0.0108
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0771 0.1299
Schistosoma mansoni hypothetical protein 0.0026 0.1102 0.1522
Mycobacterium tuberculosis Probable lipase LipE 0.003 0.1345 0.1345
Brugia malayi MH1 domain containing protein 0.0008 0.0142 0.0178
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0007 0.0117 0.0577
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0771 0.1299
Schistosoma mansoni hypothetical protein 0.0059 0.2886 0.4086
Loa Loa (eye worm) hypothetical protein 0.0081 0.4045 0.7135
Loa Loa (eye worm) hypothetical protein 0.003 0.1345 0.2323
Echinococcus granulosus cpg binding protein 0.0024 0.104 0.1434
Schistosoma mansoni ferritin light chain 0.0007 0.0117 0.0108
Onchocerca volvulus 0.0023 0.097 0.712
Mycobacterium tuberculosis Conserved protein 0.003 0.1345 0.1345
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0019 0.0771 0.5593
Schistosoma mansoni hypothetical protein 0.0136 0.7001 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0019 0.0771 0.0771
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0771 0.1299
Echinococcus granulosus Smad4 0.0008 0.0142 0.0144
Echinococcus granulosus geminin 0.0136 0.7001 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.0771 0.5593
Brugia malayi Intermediate filament tail domain containing protein 0.0022 0.0895 0.152
Brugia malayi MH2 domain containing protein 0.0008 0.0142 0.0178
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0142 0.0178
Onchocerca volvulus 0.0022 0.0895 0.6544
Echinococcus granulosus lamin 0.0022 0.0895 0.1225
Trichomonas vaginalis antibiotic synthetase, putative 0.0006 0.0042 0.0181
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0014 0.051 0.3591
Schistosoma mansoni hypothetical protein 0.0055 0.2683 0.3794
Entamoeba histolytica acyl-CoA synthetase, putative 0.0019 0.0771 0.2563
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0006 0.0042 0.0042
Schistosoma mansoni smad 0.0008 0.0142 0.0144
Loa Loa (eye worm) hypothetical protein 0.0055 0.2683 0.4707
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0026 0.1102 0.1888
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0468 0.0468
Loa Loa (eye worm) histone methyltransferase 0.0007 0.012 0.0139
Schistosoma mansoni cpg binding protein 0.0024 0.104 0.1434
Schistosoma mansoni intermediate filament proteins 0.0022 0.0895 0.1225
Schistosoma mansoni hypothetical protein 0.0136 0.7001 1
Brugia malayi beta-lactamase family protein 0.003 0.1345 0.2323
Brugia malayi beta-lactamase family protein 0.003 0.1345 0.2323
Toxoplasma gondii histone lysine methyltransferase SET1 0.0044 0.2071 1
Echinococcus multilocularis ferritin 0.0007 0.0117 0.0108
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0059 0.2886 0.4086
Echinococcus multilocularis lamin dm0 0.0022 0.0895 0.1225
Schistosoma mansoni ferritin 0.0007 0.0117 0.0108
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.012 0.0112
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0014 0.051 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1345 0.2323
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0006 0.0042 0.0042
Schistosoma mansoni apoferritin-2 0.0007 0.0117 0.0108
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0006 0.0042 0.0042
Brugia malayi Smad1 0.0008 0.0142 0.0178
Mycobacterium tuberculosis Probable conserved lipoprotein 0.003 0.1345 0.1345
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0006 0.0045 0.0004
Loa Loa (eye worm) hypothetical protein 0.0014 0.051 0.0834
Mycobacterium ulcerans beta-lactamase 0.003 0.1345 1
Brugia malayi MH1 domain containing protein 0.0008 0.0142 0.0178
Schistosoma mansoni ferritin 0.0007 0.0117 0.0108
Trichomonas vaginalis esterase, putative 0.003 0.1345 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.003 0.1345 0.1873
Loa Loa (eye worm) hypothetical protein 0.0014 0.051 0.0834
Onchocerca volvulus 0.003 0.1345 1
Mycobacterium tuberculosis Conserved protein 0.003 0.1345 0.1345
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0142 0.0144
Echinococcus granulosus intermediate filament protein 0.0022 0.0895 0.1225
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0771 0.5593
Schistosoma mansoni ferritin 0.0007 0.0117 0.0108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0081 0.4045 0.7135
Loa Loa (eye worm) hypothetical protein 0.0014 0.051 0.0834
Plasmodium vivax hypothetical protein, conserved 0.003 0.1345 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0142 0.0144
Mycobacterium leprae conserved hypothetical protein 0.003 0.1345 1
Mycobacterium tuberculosis Probable lipase LipD 0.003 0.1345 0.1345
Entamoeba histolytica acyl-coA synthetase, putative 0.0019 0.0771 0.2563
Brugia malayi latrophilin 2 splice variant baaae 0.0055 0.2683 0.4707
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.1345 1
Schistosoma mansoni ferritin light chain 0.0007 0.0117 0.0108
Mycobacterium tuberculosis Probable hydrolase 0.003 0.1345 0.1345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0081 0.4045 0.7135
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0007 0.0117 0.5
Treponema pallidum bacterioferrin (TpF1) 0.0007 0.0117 0.5
Echinococcus granulosus expressed protein 0.0007 0.0117 0.0108
Loa Loa (eye worm) hypothetical protein 0.001 0.0276 0.0416
Brugia malayi cytoplasmic intermediate filament protein 0.0012 0.0358 0.0564
Echinococcus multilocularis geminin 0.0136 0.7001 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.001 0.0297 0.0366
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0026 0.1102 0.1522
Echinococcus granulosus GPCR family 2 0.0026 0.1102 0.1522
Schistosoma mansoni transcription factor LCR-F1 0.0059 0.2886 0.4086
Mycobacterium ulcerans bacterioferritin BfrA 0.0007 0.0117 0.0577
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0006 0.0042 0.0042
Plasmodium vivax acyl-CoA synthetase, putative 0.0014 0.051 0.3591
Mycobacterium ulcerans lipase LipD 0.003 0.1345 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.0771 0.5593
Plasmodium falciparum acyl-CoA synthetase 0.0014 0.051 1
Onchocerca volvulus 0.0022 0.0895 0.6544
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.003 0.1345 0.1345
Schistosoma mansoni smad1 5 8 and 0.0008 0.0142 0.0144
Mycobacterium ulcerans hypothetical protein 0.003 0.1345 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0895 0.152
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0007 0.0117 0.0117
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0049 0.235 0.3316
Echinococcus multilocularis cpg binding protein 0.0024 0.104 0.1434
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0012 0.0358 0.0564
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0026 0.1102 0.1522
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.003 0.1345 1
Onchocerca volvulus 0.003 0.1345 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.0771 0.5593
Echinococcus granulosus lamin dm0 0.0022 0.0895 0.1225
Loa Loa (eye worm) hypothetical protein 0.003 0.1345 0.2323
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0045 0.0004
Loa Loa (eye worm) hypothetical protein 0.003 0.1345 0.2323
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0026 0.1102 0.1522
Loa Loa (eye worm) hypothetical protein 0.0019 0.0771 0.1299
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.0771 0.5593
Loa Loa (eye worm) CXXC zinc finger family protein 0.0023 0.097 0.1654
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0006 0.0042 0.0042
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0006 0.0042 0.0042
Echinococcus granulosus mixed lineage leukemia protein mll 0.0006 0.0045 0.0004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.012 0.0112
Loa Loa (eye worm) hypothetical protein 0.003 0.1345 0.2323
Loa Loa (eye worm) hypothetical protein 0.0019 0.0771 0.1299
Loa Loa (eye worm) hypothetical protein 0.003 0.1345 0.2323
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0142 0.0144
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0771 0.5593
Echinococcus multilocularis musashi 0.0022 0.0895 0.1225
Loa Loa (eye worm) hypothetical protein 0.0014 0.051 0.0834
Schistosoma mansoni cpg binding protein 0.0023 0.097 0.1333
Trichomonas vaginalis penicillin-binding protein, putative 0.003 0.1345 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0022 0.0895 0.152
Echinococcus granulosus cytoplasmic intermediate filament protein 0.001 0.0297 0.0366
Brugia malayi Latrophilin receptor protein 2 0.0026 0.1102 0.1888
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0468 0.0468
Trichomonas vaginalis antibiotic synthetase, putative 0.0006 0.0042 0.0181
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0006 0.0042 0.0042
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0006 0.0045 0.0004
Loa Loa (eye worm) transcription factor SMAD2 0.0111 0.5652 1
Echinococcus multilocularis lamin 0.0022 0.0895 0.1225
Brugia malayi beta-lactamase 0.003 0.1345 0.2323
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.003 0.1345 0.2323
Echinococcus granulosus beta LACTamase domain containing family member 0.003 0.1345 0.1873
Schistosoma mansoni cpg binding protein 0.0024 0.104 0.1434
Loa Loa (eye worm) MH2 domain-containing protein 0.0111 0.5652 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0771 0.5593
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.003 0.1345 0.2323
Mycobacterium ulcerans esterase/lipase LipP 0.003 0.1345 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.003 0.1345 0.1873
Echinococcus multilocularis smad 0.0008 0.0142 0.0144
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0019 0.0771 0.5593
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0006 0.0042 0.0042
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.1345 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0771 0.5593
Entamoeba histolytica hypothetical protein 0.0059 0.2886 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0014 0.051 0.051
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.1345 1
Brugia malayi MH2 domain containing protein 0.0008 0.0142 0.0178
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0007 0.0117 0.0117
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0468 0.0468
Schistosoma mansoni hypothetical protein 0.0026 0.1102 0.1522
Schistosoma mansoni smad1 5 8 and 0.0008 0.0142 0.0144
Echinococcus multilocularis GPCR, family 2 0.0026 0.1102 0.1522
Echinococcus multilocularis beta LACTamase domain containing family member 0.003 0.1345 0.1873
Loa Loa (eye worm) Smad1 0.0008 0.0142 0.0178
Brugia malayi intermediate filament protein 0.0022 0.0895 0.152
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0059 0.2886 0.4086

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 4.6 Inhibition of APC-labeled RORgammat receptor ligand binding domain (unknown origin) after 1 hr by FRET assay ChEMBL. 24388993

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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