Detailed information for compound 1418417

Basic information

Technical information
  • TDR Targets ID: 1418417
  • Name: N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino] ethyl]furan-2-carboxamide
  • MW: 319.336 | Formula: C14H13N3O4S
  • H donors: 2 H acceptors: 3 LogP: 0.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)NCCNC1=NS(=O)(=O)c2c1cccc2
  • InChi: 1S/C14H13N3O4S/c18-14(11-5-3-9-21-11)16-8-7-15-13-10-4-1-2-6-12(10)22(19,20)17-13/h1-6,9H,7-8H2,(H,15,17)(H,16,18)
  • InChiKey: ZQZVSJQKECIVHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl]-2-furancarboxamide
  • N-[2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl]-2-furamide
  • MLS000123899
  • SMR000124408
  • EU-0081616
  • ZINC02123497
  • BAS 05482461
  • STK180059
  • Furan-2-carboxylic acid [2-(1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-ylamino)-ethyl]-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus 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
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative 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
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni alpha-glucosidase 0.0169 0.0837 0.1347
Brugia malayi MH1 domain containing protein 0.0058 0.0099 0.0099
Echinococcus multilocularis mothers against decapentaplegic 5 0.0105 0.0412 0.1515
Brugia malayi RNA binding protein 0.0444 0.2664 0.2664
Echinococcus multilocularis mothers against decapentaplegic 2 0.0047 0.0025 0.009
Echinococcus multilocularis tar DNA binding protein 0.0444 0.2664 0.9792
Echinococcus granulosus mothers against decapentaplegic 2 0.0047 0.0025 0.009
Brugia malayi RNA recognition motif domain containing protein 0.0444 0.2664 0.2664
Schistosoma mansoni hypothetical protein 0.0453 0.2721 0.4379
Loa Loa (eye worm) glutaminase 2 0.0268 0.1491 0.1489
Schistosoma mansoni smad1 5 8 and 0.0105 0.0412 0.0664
Echinococcus granulosus TGF beta signal transducer SmadC 0.0105 0.0412 0.1515
Loa Loa (eye worm) latrophilin receptor protein 2 0.0453 0.2721 0.272
Schistosoma mansoni alpha-glucosidase 0.0169 0.0837 0.1347
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0132 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0047 0.0025 0.009
Schistosoma mansoni Smad4 0.0105 0.0412 0.0664
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0078 0.0126
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0063 0.0132 0.5
Echinococcus multilocularis smad 0.0105 0.0412 0.1515
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0132 0.0484
Brugia malayi mothers against decapentaplegic homolog 3 0.0047 0.0025 0.0025
Brugia malayi MH1 domain containing protein 0.0105 0.0412 0.0412
Brugia malayi MH1 domain containing protein 0.0105 0.0412 0.0412
Loa Loa (eye worm) hypothetical protein 0.0058 0.0099 0.0098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1431 0.9223 0.9223
Brugia malayi MH2 domain containing protein 0.0047 0.0025 0.0025
Loa Loa (eye worm) transcription factor SMAD2 0.1548 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0453 0.2721 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0105 0.0412 0.1515
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0063 0.0132 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0399 0.2362 1
Brugia malayi Isocitrate dehydrogenase 0.0063 0.0132 0.0132
Brugia malayi MH1 domain containing protein 0.0058 0.0099 0.0099
Schistosoma mansoni smad1 5 8 and 0.0105 0.0412 0.0664
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0063 0.0132 0.5
Loa Loa (eye worm) hypothetical protein 0.0978 0.6213 0.6213
Schistosoma mansoni smad 0.0105 0.0412 0.0664
Loa Loa (eye worm) glutaminase 0.0268 0.1491 0.1489
Schistosoma mansoni alpha glucosidase 0.0044 0.0001 0.0002
Loa Loa (eye worm) MH1 domain-containing protein 0.0105 0.0412 0.0411
Brugia malayi Latrophilin receptor protein 2 0.0453 0.2721 0.2721
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.0132 1
Schistosoma mansoni hypothetical protein 0.0453 0.2721 0.4379
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0132 1
Schistosoma mansoni tar DNA-binding protein 0.0444 0.2664 0.4288
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.0132 1
Loa Loa (eye worm) Smad1 0.0105 0.0412 0.0411
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0063 0.0132 0.0212
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0078 0.0078
Schistosoma mansoni tar DNA-binding protein 0.0444 0.2664 0.4288
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0078 0.0126
Loa Loa (eye worm) hypothetical protein 0.0453 0.2721 0.272
Schistosoma mansoni smad1 5 8 and 0.0105 0.0412 0.0664
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0078 0.0288
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1019 0.1017
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0132 0.0484
Mycobacterium ulcerans glutaminase 0.0268 0.1491 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0978 0.6213 0.6213
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1019 0.3744
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0453 0.2721 1
Schistosoma mansoni Smad4 0.0047 0.0025 0.004
Loa Loa (eye worm) MH1 domain-containing protein 0.0047 0.0025 0.0023
Echinococcus granulosus smad 0.0105 0.0412 0.1515
Trichomonas vaginalis glutaminase, putative 0.0268 0.1491 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0078 0.0288
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0453 0.2721 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0453 0.2721 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0453 0.2721 0.4379
Loa Loa (eye worm) hypothetical protein 0.1431 0.9223 0.9223
Schistosoma mansoni tar DNA-binding protein 0.0444 0.2664 0.4288
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0001 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1019 0.1019
Brugia malayi MH2 domain containing protein 0.0105 0.0412 0.0412
Echinococcus multilocularis Smad4 0.0105 0.0412 0.1515
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0105 0.0412 0.1515
Loa Loa (eye worm) nuclear factor I 0.0058 0.0099 0.0098
Brugia malayi glutaminase DH11.1 0.0268 0.1491 0.1491
Brugia malayi MH2 domain containing protein 0.0105 0.0412 0.0412
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0063 0.0132 1
Schistosoma mansoni hypothetical protein 0.0978 0.6213 1
Schistosoma mansoni tar DNA-binding protein 0.0444 0.2664 0.4288
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0063 0.0132 0.5
Echinococcus multilocularis GPCR, family 2 0.0453 0.2721 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0132 1
Echinococcus granulosus GPCR family 2 0.0453 0.2721 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0001 0.0005
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0063 0.0132 0.0484
Brugia malayi TAR-binding protein 0.0444 0.2664 0.2664
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0078 0.0077
Brugia malayi Smad1 0.0105 0.0412 0.0412
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0078 0.0288
Loa Loa (eye worm) isocitrate dehydrogenase 0.0063 0.0132 0.013
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0001 1
Loa Loa (eye worm) TAR-binding protein 0.0444 0.2664 0.2663
Echinococcus granulosus Smad4 0.0105 0.0412 0.1515
Schistosoma mansoni tar DNA-binding protein 0.0444 0.2664 0.4288
Brugia malayi N-terminal motif family protein 0.0399 0.2362 0.2362
Brugia malayi Calcitonin receptor-like protein seb-1 0.1431 0.9223 0.9223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0078 0.0126
Echinococcus multilocularis mothers against decapentaplegic 6 0.0047 0.0025 0.009
Schistosoma mansoni hypothetical protein 0.0453 0.2721 0.4379
Schistosoma mansoni glutaminase 0.0268 0.1491 0.2399
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0001 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0078 0.0288
Onchocerca volvulus 0.0114 0.0467 0.1895
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1019 0.3744
Schistosoma mansoni smad 0.0047 0.0025 0.004
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0063 0.0132 0.0484
Brugia malayi isocitrate dehydrogenase 0.0063 0.0132 0.0132
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1019 0.3744
Loa Loa (eye worm) RNA binding protein 0.0444 0.2664 0.2663
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0132 0.0484
Loa Loa (eye worm) MH2 domain-containing protein 0.0047 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.0047 0.0025 0.0023
Schistosoma mansoni Smad4 0.0047 0.0025 0.004
Echinococcus multilocularis isocitrate dehydrogenase 0.0063 0.0132 0.0484
Loa Loa (eye worm) MH2 domain-containing protein 0.1548 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0453 0.2721 0.2721
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0105 0.0412 0.0664
Echinococcus granulosus tar DNA binding protein 0.0444 0.2664 0.9792
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0444 0.2664 0.2663
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1431 0.9223 0.9223
Loa Loa (eye worm) MH2 domain-containing protein 0.0105 0.0412 0.0411
Loa Loa (eye worm) hypothetical protein 0.0399 0.2362 0.236

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0082 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 7.9433 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) = 7.9433 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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