Detailed information for compound 1547304

Basic information

Technical information
  • TDR Targets ID: 1547304
  • Name: 2-amino-5-[[5-(2-nitrophenyl)furan-2-yl]methy lidene]-1,3-thiazol-4-one
  • MW: 315.304 | Formula: C14H9N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(=O)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/S1
  • InChi: 1S/C14H9N3O4S/c15-14-16-13(18)12(22-14)7-8-5-6-11(21-8)9-3-1-2-4-10(9)17(19)20/h1-7H,(H2,15,16,18)/b12-7+
  • InChiKey: CZZAPCPWFCGOCC-KPKJPENVSA-N  

Network

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Synonyms

  • (5E)-2-amino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
  • 2-amino-5-[[5-(2-nitrophenyl)-2-furyl]methylene]thiazol-4-one
  • (5E)-2-amino-5-[[5-(2-nitrophenyl)-2-furyl]methylene]thiazol-4-one
  • (5E)-2-amino-5-[[5-(2-nitrophenyl)-2-furyl]methylene]-4-thiazolone
  • 2-amino-5-[[5-(2-nitrophenyl)-2-furyl]methylene]-4-thiazolone
  • A0889/0041719
  • ZINC03898548

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
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
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani flap endonuclease-1 (FEN-1), putative 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
Leishmania braziliensis flap endonuclease-1 (FEN-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
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii flap endonuclease-1-related 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
Cryptosporidium parvum 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
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum flap endonuclease 1 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis flap endonuclease 1 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057

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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.5064 0.5064
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.675 0.675
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.5064 0.5064
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 1 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.675 0.675
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.675 0.675
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0336 0.0336
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.5064 0.5064
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.675 1
Plasmodium vivax flap endonuclease 1, putative 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.675 0.675
Entamoeba histolytica Flap nuclease, putative 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0336 0.0336
Echinococcus multilocularis flap endonuclease 1 0.0031 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0336 0.0336
Trypanosoma brucei unspecified product 0.0016 0.3864 0.3864
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.5064 0.5064
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0336 0.0336
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.675 0.675
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Echinococcus multilocularis dna polymerase kappa 0.0023 0.675 0.675
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0336 0.0336
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.675 0.675
Brugia malayi isocitrate dehydrogenase 0.0019 0.5064 0.5064
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.675 0.675
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.675 0.675
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.675 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.5064 0.5064
Giardia lamblia Flap structure-specific endonuclease 0.0031 1 1
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0336 0.0336
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0336 0.0336
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.675 0.675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Giardia lamblia DNA damage repair protein 0.0007 0.0336 0.0336
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Brugia malayi Isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma brucei unspecified product 0.0016 0.3864 0.3864
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.675 0.675
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.675 0.7676
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.675 0.675
Echinococcus granulosus flap endonuclease 1 0.0031 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.5064 0.5064
Schistosoma mansoni flap endonuclease-1 0.0028 0.8794 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3864 0.3864
Loa Loa (eye worm) flap endonuclease-1 0.0031 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.675 0.675
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0336 0.0336
Brugia malayi polk-prov protein 0.0007 0.0336 0.0336
Giardia lamblia DINP protein human, muc B family 0.0023 0.675 0.675
Leishmania major DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3864 0.3864
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.675 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Leishmania major DNA polymerase kappa, putative 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.5064 0.5064
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.675 0.675
Leishmania major DNA damage repair protein, putative 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0336 0.0336
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0336 0.0336
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.675 0.7676
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0336 0.0336
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0336 0.0382
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3864 0.3864
Leishmania major DNA polymerase eta, putative 0.0023 0.675 0.675
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0336 0.0336
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0336 0.0336
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0336 0.0336
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0336 0.0336
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.5064 0.5758
Trypanosoma brucei unspecified product 0.0023 0.675 0.675
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.5064 0.5064
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.5064 0.5064
Schistosoma mansoni DNA polymerase eta 0.0023 0.675 0.7676
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.675 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.5064 0.5064
Leishmania major DNA polymerase eta, putative 0.0007 0.0336 0.0336
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.675 0.675
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Plasmodium falciparum flap endonuclease 1 0.0031 1 1
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0336 0.0336

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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