Detailed information for compound 1297654

Basic information

Technical information
  • TDR Targets ID: 1297654
  • Name: N-(6-acetyl-2,3-dihydro-1,4-benzodioxin-7-yl) furan-2-carboxamide
  • MW: 287.267 | Formula: C15H13NO5
  • H donors: 1 H acceptors: 2 LogP: 2.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)Nc1cc2OCCOc2cc1C(=O)C
  • InChi: 1S/C15H13NO5/c1-9(17)10-7-13-14(21-6-5-20-13)8-11(10)16-15(18)12-3-2-4-19-12/h2-4,7-8H,5-6H2,1H3,(H,16,18)
  • InChiKey: BXOXIZKNFWWGBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-acetyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-furancarboxamide
  • N-(6-acetyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-furamide
  • N-(6-ethanoyl-2,3-dihydro-1,4-benzodioxin-7-yl)furan-2-carboxamide
  • MLS000674197
  • N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-furamide
  • SMR000297099
  • ZINC04703790
  • A3810/0161716
  • STK172553

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0162 0.0162
Brugia malayi RNA binding protein 0.007 0.1065 0.1528
Brugia malayi MH1 domain containing protein 0.0026 0.0257 0.0369
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0257 0.0257
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0162 0.2813
Entamoeba histolytica hypothetical protein 0.0043 0.0575 1
Brugia malayi MH2 domain containing protein 0.0026 0.0257 0.0369
Brugia malayi TAR-binding protein 0.007 0.1065 0.1528
Loa Loa (eye worm) RNA binding protein 0.007 0.1065 0.1528
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0162 1
Schistosoma mansoni hypothetical protein 0.055 1 1
Echinococcus multilocularis dna polymerase eta 0.0021 0.0162 0.0162
Brugia malayi MH2 domain containing protein 0.0387 0.6966 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0627 0.5254
Entamoeba histolytica hypothetical protein 0.0043 0.0575 1
Schistosoma mansoni DNA polymerase eta 0.0021 0.0162 0.0162
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0627 1
Loa Loa (eye worm) Smad1 0.0026 0.0257 0.0369
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0162 0.1355
Brugia malayi Heterochromatin protein 1 0.0077 0.1194 0.1714
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0283 0.5033 1
Giardia lamblia DINP protein human, muc B family 0.0021 0.0162 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0567 0.9031
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0162 0.5
Brugia malayi MH1 domain containing protein 0.0015 0.0038 0.0054
Loa Loa (eye worm) TAR-binding protein 0.007 0.1065 0.1528
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0162 0.0162
Echinococcus granulosus chromobox protein 1 0.0077 0.1194 0.1194
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0257 0.0369
Loa Loa (eye worm) MH2 domain-containing protein 0.0387 0.6966 1
Schistosoma mansoni hypothetical protein 0.055 1 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0333 0.2789
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0283 0.5033 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Brugia malayi MH1 domain containing protein 0.0026 0.0257 0.0369
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0162 0.0232
Loa Loa (eye worm) hypothetical protein 0.0021 0.0162 0.0232
Schistosoma mansoni tar DNA-binding protein 0.007 0.1065 0.1065
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0575 0.0575
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0013 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0162 0.1355
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.0565
Schistosoma mansoni Smad4 0.0026 0.0257 0.0257
Treponema pallidum hypothetical protein 0.0283 0.5033 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0162 0.5
Echinococcus granulosus tar DNA binding protein 0.007 0.1065 0.1065
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0162 0.0232
Echinococcus granulosus chromobox protein 1 0.0077 0.1194 0.1194
Entamoeba histolytica hypothetical protein 0.0043 0.0575 1
Brugia malayi hypothetical protein 0.0043 0.0575 0.0826
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1065 0.1065
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0283 0.5033 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0162 1
Echinococcus multilocularis chromobox protein 1 0.0077 0.1194 0.1194
Echinococcus granulosus dna polymerase eta 0.0021 0.0162 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0567 0.4746
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.1194 0.1714
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0162 1
Brugia malayi MH2 domain containing protein 0.0026 0.0257 0.0369
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0162 0.0162
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0575 0.0575
Leishmania major DNA polymerase eta, putative 0.0021 0.0162 0.5
Echinococcus multilocularis geminin 0.055 1 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0627 0.5254
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0013 0 0.5
Schistosoma mansoni smad1 5 8 and 0.0026 0.0257 0.0257
Echinococcus multilocularis chromobox protein 1 0.0077 0.1194 0.1194
Schistosoma mansoni chromobox protein 0.0077 0.1194 0.1194
Echinococcus multilocularis tar DNA binding protein 0.007 0.1065 0.1065
Schistosoma mansoni smad1 5 8 and 0.0026 0.0257 0.0257
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0575 0.0575
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0257 0.0257
Onchocerca volvulus 0.0034 0.0394 0.6276
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0567 0.0814
Echinococcus multilocularis Smad4 0.0026 0.0257 0.0257
Trypanosoma brucei unspecified product 0.0021 0.0162 1
Trichomonas vaginalis chromobox protein, putative 0.0077 0.1194 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0038 0.0054
Brugia malayi chromobox protein homolog 3 0.0043 0.0567 0.0814
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1065 0.1065
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0283 0.5033 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0257 0.0257
Schistosoma mansoni hypothetical protein 0.0043 0.0575 0.0575
Trichomonas vaginalis chromobox protein, putative 0.0077 0.1194 1
Echinococcus multilocularis smad 0.0026 0.0257 0.0257
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0013 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0162 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0567 0.4746
Echinococcus granulosus smad 0.0026 0.0257 0.0257
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0257 0.0257
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0257 0.0369
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Loa Loa (eye worm) transcription factor SMAD2 0.0387 0.6966 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0162 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0283 0.5033 1
Loa Loa (eye worm) nuclear factor I 0.0015 0.0038 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0162 0.0162
Brugia malayi Smad1 0.0026 0.0257 0.0369
Schistosoma mansoni tar DNA-binding protein 0.007 0.1065 0.1065
Brugia malayi MH1 domain containing protein 0.0015 0.0038 0.0054
Echinococcus granulosus Smad4 0.0026 0.0257 0.0257
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0257 0.0257
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0162 0.5
Schistosoma mansoni tar DNA-binding protein 0.007 0.1065 0.1065
Leishmania major DNA polymerase kappa, putative 0.0021 0.0162 0.5
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1065 0.1528
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0162 0.0162
Schistosoma mansoni chromobox protein 0.0077 0.1194 0.1194
Entamoeba histolytica hypothetical protein 0.0043 0.0575 1
Schistosoma mansoni smad 0.0026 0.0257 0.0257
Schistosoma mansoni smad1 5 8 and 0.0026 0.0257 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0333 0.2789
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0162 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0162 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0162 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0162 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0162 0.0232
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1065 0.1528

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 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) 3.6626 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.1095 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) 13.4591 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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