Detailed information for compound 1302626

Basic information

Technical information
  • TDR Targets ID: 1302626
  • Name: 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl )acetamide
  • MW: 265.355 | Formula: C11H11N3OS2
  • H donors: 2 H acceptors: 2 LogP: 2.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nccs1)CSc1ccccc1N
  • InChi: 1S/C11H11N3OS2/c12-8-3-1-2-4-9(8)17-7-10(15)14-11-13-5-6-16-11/h1-6H,7,12H2,(H,13,14,15)
  • InChiKey: GCTASGGFLNJOKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-aminophenyl)sulfanyl-N-thiazol-2-yl-acetamide
  • 2-[(2-aminophenyl)thio]-N-(2-thiazolyl)acetamide
  • 2-[(2-aminophenyl)thio]-N-thiazol-2-yl-acetamide
  • 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)ethanamide
  • 2-[(2-aminophenyl)thio]-N-1,3-thiazol-2-ylacetamide
  • MLS000665938
  • SMR000294629
  • Oprea1_603539
  • Oprea1_383158

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0127 0.422 0.422
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0127 0.422 0.422
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.7146 1
Brugia malayi RNA binding protein 0.0127 0.422 0.422
Loa Loa (eye worm) hypothetical protein 0.0051 0.1056 0.1056
Schistosoma mansoni alpha-glucosidase 0.0169 0.6001 0.5843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1056 0.1056
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0 0.5
Mycobacterium ulcerans glutaminase 0.0265 1 0.5
Echinococcus granulosus tar DNA binding protein 0.0127 0.422 0.5429
Loa Loa (eye worm) glutaminase 0.0265 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.7146 0.7146
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.7146 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0745 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.7146 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1056 0.1056
Schistosoma mansoni tar DNA-binding protein 0.0127 0.422 0.3992
Schistosoma mansoni tar DNA-binding protein 0.0127 0.422 0.3992
Trypanosoma brucei glucosidase, putative 0.0044 0.0745 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0745 0.0745
Schistosoma mansoni alpha-glucosidase 0.0169 0.6001 0.5843
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.038 0.038
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0745 1
Trichomonas vaginalis glutaminase, putative 0.0265 1 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.422 0.3992
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0745 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0745 0.0745
Onchocerca volvulus 0.0114 0.3678 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.422 0.422
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.422 0.422
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1056 0.1056
Schistosoma mansoni tar DNA-binding protein 0.0127 0.422 0.3992
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0745 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.038 0.038
Brugia malayi TAR-binding protein 0.0127 0.422 0.422
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0745 1
Echinococcus multilocularis tar DNA binding protein 0.0127 0.422 0.5429
Loa Loa (eye worm) glutaminase 2 0.0265 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0745 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.422 0.3992
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.7146 0.7146
Schistosoma mansoni glutaminase 0.0265 1 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0745 0.0379

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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