Detailed information for compound 319295

Basic information

Technical information
  • TDR Targets ID: 319295
  • Name: 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2 ,4-dione
  • MW: 258.229 | Formula: C13H10N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.46 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2c(coc2c(=O)n1O)Cc1ccccc1
  • InChi: 1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17)
  • InChiKey: ZTYGZYOHPCUUJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-7-(phenylmethyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
  • 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-quinone
  • 3-hydroxy-7-(phenylmethyl)-1H-furo[2,3-e]pyrimidine-2,4-dione
  • 7-(benzyl)-3-hydroxy-1H-furo[2,3-e]pyrimidine-2,4-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens excision repair cross-complementation group 5 Starlite/ChEMBL References
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_128675 All targets in OG5_128675
Neospora caninum RAD2 endonuclease, putative Get druggable targets OG5_128675 All targets in OG5_128675
Neospora caninum flap endonuclease-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
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family Get druggable targets OG5_128675 All targets in OG5_128675
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica DNA-repair protein, putative Get druggable targets OG5_128675 All targets in OG5_128675
Candida albicans similar to RAD13, excision repair protein Get druggable targets OG5_128675 All targets in OG5_128675
Brugia malayi Flap endonuclease-1 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
Echinococcus multilocularis DNA repair protein complementing XP G cells Get druggable targets OG5_128675 All targets in OG5_128675
Schistosoma japonicum DNA-repair protein rad13, putative Get druggable targets OG5_128675 All targets in OG5_128675
Cryptosporidium parvum XPG, DNA excision repair protein, flap endonuclease Get druggable targets OG5_128675 All targets in OG5_128675
Toxoplasma gondii flap structure-specific 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
Leishmania braziliensis flap endonuclease-1 (FEN-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 yoelii XPG I-region, putative Get druggable targets OG5_128675 All targets in OG5_128675
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi DNA repair protein RAD2, putative Get druggable targets OG5_128675 All targets in OG5_128675
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-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
Entamoeba histolytica Flap nuclease, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128675 All targets in OG5_128675
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei DNA repair protein RAD2, putative Get druggable targets OG5_128675 All targets in OG5_128675
Echinococcus granulosus flap endonuclease 1 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
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva hypothetical protein, conserved Get druggable targets OG5_128675 All targets in OG5_128675
Plasmodium vivax DNA repair protein RAD2, putative Get druggable targets OG5_128675 All targets in OG5_128675
Echinococcus multilocularis flap endonuclease 1 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
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus DNA repair protein complementing XP G cells Get druggable targets OG5_128675 All targets in OG5_128675
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum DNA repair protein RAD2, putative Get druggable targets OG5_128675 All targets in OG5_128675
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans similar to RAD13, excision repair protein Get druggable targets OG5_128675 All targets in OG5_128675
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva DNA repair protein rad2, putative Get druggable targets OG5_128675 All targets in OG5_128675
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi XPG N-terminal domain containing protein Get druggable targets OG5_128675 All targets in OG5_128675
Babesia bovis Rad2 endonuclease, putative Get druggable targets OG5_128675 All targets in OG5_128675
Toxoplasma gondii XPG N-terminal domain-containing protein Get druggable targets OG5_128675 All targets in OG5_128675
Plasmodium yoelii flap endonuclease-1-related 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
Cryptosporidium hominis RAD2 Get druggable targets OG5_128675 All targets in OG5_128675
Plasmodium vivax 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
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
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Onchocerca volvulus 0.0063 1 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0063 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.4298 0.4298
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 1 1
Echinococcus granulosus flap endonuclease 1 0.0038 0.2613 0.2613
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0063 1 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0063 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0063 1 1
Loa Loa (eye worm) ACC-1 protein 0.0063 1 1
Onchocerca volvulus 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0063 1 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0063 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0063 1 1
Brugia malayi Cation transporter family protein 0.0063 1 1
Onchocerca volvulus Putative nachr subunit 0.0063 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0063 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0063 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Entamoeba histolytica DNA-repair protein, putative 0.0044 0.4298 1
Loa Loa (eye worm) flap endonuclease-1 0.0038 0.2613 0.2613
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 1 1
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0044 0.4298 0.4298
Loa Loa (eye worm) ACC-1 protein 0.0063 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0063 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0063 1 1
Plasmodium falciparum DNA repair protein RAD2, putative 0.0044 0.4298 1
Onchocerca volvulus 0.0063 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus multilocularis nAChR subunit 0.0063 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Onchocerca volvulus 0.0063 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0044 0.4298 1
Giardia lamblia Flap structure-specific endonuclease 0.0038 0.2613 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus granulosus nAChR subunit 0.0034 0.1438 0.1438
Onchocerca volvulus 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0063 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0063 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0063 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0034 0.1438 0.1438
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0038 0.2613 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0063 1 1
Echinococcus multilocularis nAChR subunit 0.0034 0.1438 0.1438
Echinococcus granulosus glycine receptor subunit alpha 1 0.0063 1 1
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0044 0.4298 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0063 1 1
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0044 0.4298 0.4298
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0063 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0063 1 1
Brugia malayi Cation transporter family protein 0.0063 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0063 1 1
Echinococcus multilocularis flap endonuclease 1 0.0038 0.2613 0.2613
Loa Loa (eye worm) LGC-31 protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0034 0.1438 0.1438
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0063 1 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0063 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0063 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0063 1 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0063 1 1
Onchocerca volvulus 0.0063 1 1
Onchocerca volvulus 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) GABA receptor subunit 0.0034 0.1438 0.1438
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0038 0.2613 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0063 1 1
Brugia malayi Flap endonuclease-1 0.0038 0.2613 0.2613
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 1 1
Onchocerca volvulus 0.0034 0.1438 0.1438
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0044 0.4298 0.4298
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Brugia malayi XPG N-terminal domain containing protein 0.0037 0.2307 0.2307
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0063 1 1
Plasmodium vivax DNA repair protein RAD2, putative 0.0044 0.4298 1
Schistosoma mansoni flap endonuclease-1 0.0032 0.0828 0.0828
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0063 1 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0038 0.2613 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0063 1 1
Entamoeba histolytica Flap nuclease, putative 0.0038 0.2613 0.4109
Brugia malayi Cation transporter family protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0034 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0034 0.1438 0.1438
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0063 1 1
Echinococcus granulosus nAChR subunit 0.0063 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0034 0.1438 0.1438
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0063 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.038 nM Inhibitory concentration against the Flap endonuclease-1 ChEMBL. 15603939
IC50 (binding) = 0.038 nM Inhibitory concentration against the Flap endonuclease-1 ChEMBL. 15603939
IC50 (binding) = 0.061 nM Inhibitory concentration against the xeroderma pigmentosum G ChEMBL. 15603939
IC50 (binding) = 0.061 nM Inhibitory concentration against the xeroderma pigmentosum G ChEMBL. 15603939

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

1 literature reference was collected for this gene.

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