Detailed information for compound 1295941

Basic information

Technical information
  • TDR Targets ID: 1295941
  • Name: N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoy l)phenoxy]acetamide
  • MW: 392.426 | Formula: C18H20N2O6S
  • H donors: 2 H acceptors: 3 LogP: 2.47 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNS(=O)(=O)c1ccc(cc1)OCC(=O)Nc1ccc2c(c1)OCO2
  • InChi: 1S/C18H20N2O6S/c1-2-9-19-27(22,23)15-6-4-14(5-7-15)24-11-18(21)20-13-3-8-16-17(10-13)26-12-25-16/h3-8,10,19H,2,9,11-12H2,1H3,(H,20,21)
  • InChiKey: SEJLTVNNTKUTFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]ethanamide
  • BAS 07547077
  • N-Benzo[1,3]dioxol-5-yl-2-(4-propylsulfamoyl-phenoxy)-acetamide
  • MLS000716321
  • SMR000277838
  • ZINC04497843

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
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) transcription factor SMAD2 0.0117 0.2591 0.2477
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0603 0.1849
Leishmania major hypothetical protein, conserved 0.0035 0.0207 1
Onchocerca volvulus 0.0035 0.0207 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.5755 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0207 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0056
Loa Loa (eye worm) hypothetical protein 0.0035 0.0192 0.004
Toxoplasma gondii ABC1 family protein 0.0035 0.0207 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0207 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.0207 0.5
Schistosoma mansoni importin beta-1 0.0035 0.0192 0.004
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0207 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0207 0.0016
Onchocerca volvulus 0.0035 0.0207 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0207 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0207 0.5
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0207 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0207 0.0226
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0207 1
Brugia malayi beta-lactamase 0.0035 0.0207 0.0226
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0056
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0207 0.0056
Brugia malayi RNA, U transporter 1 0.0099 0.2061 0.7824
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0207 1
Brugia malayi beta-lactamase family protein 0.0035 0.0207 0.0226
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0056
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0056
Brugia malayi beta-lactamase family protein 0.0035 0.0207 0.0226
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0603 0.1849
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0207 0.0056
Brugia malayi Importin beta-1 subunit 0.0035 0.0192 0.0162
Plasmodium falciparum importin beta, putative 0.0035 0.0192 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.2591 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0207 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0207 0.0056
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0603 0.0458
Loa Loa (eye worm) beta-lactamase 0.0035 0.0207 0.0056
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2591 0.2477
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0056
Onchocerca volvulus 0.0035 0.0207 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0207 1
Trichomonas vaginalis esterase, putative 0.0035 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0603 0.0458
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0207 0.0016
Mycobacterium ulcerans lipase LipD 0.0035 0.0207 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0207 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0207 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] 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
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) 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
Plasmodium falciparum 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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