Detailed information for compound 1444828

Basic information

Technical information
  • TDR Targets ID: 1444828
  • Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methylfur an-3-carboxamide
  • MW: 273.284 | Formula: C15H15NO4
  • H donors: 1 H acceptors: 1 LogP: 2.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc2c(c1)OCO2)NC(=O)c1ccoc1C
  • InChi: 1S/C15H15NO4/c1-9(16-15(17)12-5-6-18-10(12)2)11-3-4-13-14(7-11)20-8-19-13/h3-7,9H,8H2,1-2H3,(H,16,17)
  • InChiKey: FVHBAQGZGGWHKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-furan-3-carboxamide
  • N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-furancarboxamide
  • N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-furamide
  • MLS000065835
  • SMR000080533
  • IVK/4005607

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0175 0.0597
Schistosoma mansoni ap endonuclease 0.0041 0.0175 0.0175
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0201 0.2794 0.8103
Onchocerca volvulus 0.0239 0.3407 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.118 0.3836
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0175 0.5
Brugia malayi hypothetical protein 0.0036 0.0101 0.0344
Echinococcus granulosus GTP binding nuclear protein Ran 0.0044 0.0232 0.0232
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0261 0.0261
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0101 0.0101
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0201 0.2794 0.9523
Trichomonas vaginalis ran, putative 0.0044 0.0232 0.0176
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0201 0.2794 0.2794
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.118 0.3836
Echinococcus multilocularis snurportin 1 0.0643 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0044 0.0232 0.0831
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.118 0.3836
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0044 0.0232 0.0791
Schistosoma mansoni importin beta-1 0.006 0.0492 0.0492
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.118 0.3836
Entamoeba histolytica hypothetical protein 0.0049 0.0306 0.0761
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.0492 0.1208
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0044 0.0232 0.0218
Trypanosoma brucei hypothetical protein, conserved 0.0102 0.118 0.3836
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0044 0.0232 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0201 0.2794 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0261 0.0261
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0329 0.1122
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0232 0.0218
Schistosoma mansoni hypothetical protein 0.0034 0.007 0.007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0261 0.0261
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0034 0.007 0.007
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.118 0.3836
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0101 0.0101
Schistosoma mansoni ap endonuclease 0.0041 0.0175 0.0175
Trypanosoma cruzi importin beta-1 subunit, putative 0.0049 0.0306 0.0499
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0201 0.2794 0.2794
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0201 0.2794 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0175 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0261 0.0261
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0175 0.0276
Schistosoma mansoni ran 0.0044 0.0232 0.0232
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0201 0.2794 1
Echinococcus granulosus importin subunit beta 1 0.006 0.0492 0.0492
Toxoplasma gondii exonuclease III APE 0.0041 0.0175 0.0627
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0102 0.118 0.3836
Schistosoma mansoni hypothetical protein 0.0036 0.0101 0.0101
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.007 0.0237
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0044 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.006 0.0492 0.0492
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0306 0.0404
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0329 0.1122
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0643 1 1
Brugia malayi Pre-SET motif family protein 0.021 0.2934 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0175 0.5
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0201 0.2794 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0044 0.0232 0.0232
Plasmodium falciparum importin beta, putative 0.006 0.0492 0.1208
Trichomonas vaginalis set domain proteins, putative 0.0239 0.3407 1
Leishmania major GTP-binding protein, putative 0.0044 0.0232 0.0218
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0232 0.0218
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0044 0.0232 0.0831
Trichomonas vaginalis importin beta-1, putative 0.0049 0.0306 0.0404
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0044 0.0232 0.0218
Schistosoma mansoni hypothetical protein 0.0643 1 1
Entamoeba histolytica Ran family GTPase 0.0044 0.0232 0.0487
Plasmodium vivax importin-beta 2, putative 0.006 0.0492 0.1759
Leishmania major importin beta-1 subunit, putative 0.0049 0.0306 0.0499
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0201 0.2794 0.2794
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0201 0.2794 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0261 0.0261
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0175 0.5
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0201 0.2794 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0306 0.0404
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0101 0.0101
Echinococcus multilocularis importin subunit beta 1 0.006 0.0492 0.0492
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2934 0.2934
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0175 0.0175
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0175 0.0175
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.0492 0.1208
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0201 0.2794 0.2794
Schistosoma mansoni ran 0.0044 0.0232 0.0232
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0201 0.2794 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0329 0.0329
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0201 0.2794 0.9523
Brugia malayi RNA, U transporter 1 0.0171 0.2303 0.7852
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0261 0.0891
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0261 0.0261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0261 0.0261
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0201 0.2794 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0201 0.2794 0.8103
Trypanosoma brucei hypothetical protein, conserved 0.0102 0.118 0.3836
Toxoplasma gondii HEAT repeat-containing protein 0.006 0.0492 0.1759
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0175 0.0175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0261 0.0261
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0201 0.2794 0.2794
Brugia malayi Importin beta-1 subunit 0.006 0.0492 0.1675
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0175 0.0627

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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