Detailed information for compound 1571009

Basic information

Technical information
  • TDR Targets ID: 1571009
  • Name: N-[3-(oxolane-2-carbonylamino)phenyl]furan-2- carboxamide
  • MW: 300.309 | Formula: C16H16N2O4
  • H donors: 2 H acceptors: 2 LogP: 1.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCO1)Nc1cccc(c1)NC(=O)c1ccco1
  • InChi: 1S/C16H16N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,17,19)(H,18,20)
  • InChiKey: RHNOYNLSROCDNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(tetrahydrofuran-2-carbonylamino)phenyl]furan-2-carboxamide
  • N-[3-[[oxo-(2-tetrahydrofuranyl)methyl]amino]phenyl]-2-furancarboxamide
  • N-[3-(tetrahydrofuran-2-carbonylamino)phenyl]-2-furamide
  • N-[3-(oxolan-2-ylcarbonylamino)phenyl]furan-2-carboxamide
  • Oprea1_801155
  • ST063207
  • MLS000709238
  • SMR000289905
  • BAS 03794302
  • Furan-2-carboxylic acid {3-[(tetrahydro-furan-2-carbonyl)-amino]-phenyl}-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0037 0.0182 0.0222
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0524 1 0.5
Trypanosoma cruzi DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0303 0.5538 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0524 1 1
Giardia lamblia DNA topoisomerase II 0.0106 0.1566 1
Brugia malayi Probable DNA topoisomerase II 0.0122 0.1897 1
Giardia lamblia DNA topoisomerase III 0.0037 0.0182 0.0806
Toxoplasma gondii DNA topoisomerase 2, putative 0.0122 0.1897 0.3353
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0303 0.5538 1
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0037 0.0182 0.0661
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0037 0.0182 0.0661
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0085 0.1141 0.1973
Trypanosoma brucei DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0524 1 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Plasmodium falciparum DNA gyrase subunit B 0.0524 1 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0122 0.1897 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0085 0.1141 0.1973
Leishmania major DNA topoisomerase ii 0.0085 0.1141 0.1973
Plasmodium vivax DNA topoisomerase 3, putative 0.0037 0.0182 0.0122
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0037 0.0182 0.0661
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0037 0.0182 0.0661
Entamoeba histolytica DNA topoisomerase II, putative 0.0122 0.1897 1
Schistosoma mansoni DNA topoisomerase II 0.0122 0.1897 1
Leishmania major mitochondrial DNA topoisomerase II 0.0303 0.5538 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0122 0.1897 1
Brugia malayi DNA topoisomerase III 0.0037 0.0182 0.0661
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0122 0.1897 1
Chlamydia trachomatis DNA gyrase subunit B 0.0344 0.636 0.6292
Trypanosoma cruzi DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0122 0.1897 1
Toxoplasma gondii DNA topoisomerase family protein 0.0037 0.0182 0.0222
Plasmodium falciparum DNA topoisomerase 3, putative 0.0037 0.0182 0.0122
Trypanosoma cruzi DNA topoisomerase II, putative 0.0085 0.1141 0.1973
Mycobacterium ulcerans DNA gyrase subunit B 0.0524 1 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Leishmania major DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0037 0.0182 0.0961
Leishmania major DNA topoisomerase III, putative 0.0037 0.0182 0.0222
Entamoeba histolytica DNA topoisomerase III, putative 0.0037 0.0182 0.0661
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.018 0.3067 1
Echinococcus multilocularis rho GTPase activating protein 20 0.0037 0.0182 0.0661
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0122 0.1897 1
Brugia malayi DNA topoisomerase III beta-1 0.0037 0.0182 0.0661
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0122 0.1897 1
Trypanosoma brucei DNA topoisomerase ii 0.0303 0.5538 1
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0037 0.0182 0.0661
Entamoeba histolytica DNA topoisomerase III, putative 0.0037 0.0182 0.0661
Loa Loa (eye worm) TOPoisomerase family member 0.0122 0.1897 1
Plasmodium falciparum DNA topoisomerase 2 0.0122 0.1897 0.1848
Trichomonas vaginalis DNA topoisomerase II, putative 0.0122 0.1897 1
Loa Loa (eye worm) DNA topoisomerase III 0.0037 0.0182 0.0661
Giardia lamblia DNA topoisomerase III 0.0037 0.0182 0.0806
Brugia malayi GRF zinc finger family protein 0.0037 0.0182 0.0661
Leishmania major DNA topoisomerase 1A 0.0037 0.0182 0.0222
Plasmodium vivax DNA gyrase subunit B, putative 0.0524 1 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0037 0.0182 0.0661
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0037 0.0182 0.0222
Loa Loa (eye worm) hypothetical protein 0.0085 0.1141 0.5884
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0037 0.0182 0.0222
Trypanosoma brucei DNA topoisomerase IA, putative 0.0037 0.0182 0.0222
Plasmodium vivax DNA topoisomerase II, putative 0.0122 0.1897 0.1848
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0122 0.1897 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.1141 0.5884
Trypanosoma cruzi DNA topoisomerase II, putative 0.0085 0.1141 0.1973
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0037 0.0182 0.0961
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0303 0.5538 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 0.7375 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) 7.3753 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) 100 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

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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