Detailed information for compound 327368

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.29 | Formula: C17H14O5
  • H donors: 1 H acceptors: 4 LogP: 2.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cccc(c1)C(=O)CC(=O)C(=O)O
  • InChi: 1S/C17H14O5/c1-22-14-7-5-11(6-8-14)12-3-2-4-13(9-12)15(18)10-16(19)17(20)21/h2-9H,10H2,1H3,(H,20,21)
  • InChiKey: NTSYJUZCHNZNPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major flap endonuclease-1 (FEN-1), putative 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
Brugia malayi XPG N-terminal domain containing protein 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
Schistosoma japonicum DNA-repair protein rad13, putative Get druggable targets OG5_128675 All targets in OG5_128675
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii XPG N-terminal domain-containing protein Get druggable targets OG5_128675 All targets in OG5_128675
Cryptosporidium parvum flap endonuclease 1 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
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum RAD2 endonuclease, putative Get druggable targets OG5_128675 All targets in OG5_128675
Trichomonas vaginalis flap endonuclease-1, putative 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
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family Get druggable targets OG5_128675 All targets in OG5_128675
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
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) flap endonuclease-1 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
Plasmodium berghei DNA repair protein RAD2, 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
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 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
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
Cryptosporidium hominis RAD2 Get druggable targets OG5_128675 All targets in OG5_128675
Leishmania mexicana flap endonuclease-1 (FEN-1), putative 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
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax DNA repair protein RAD2, putative Get druggable targets OG5_128675 All targets in OG5_128675
Echinococcus multilocularis DNA repair protein complementing XP G cells Get druggable targets OG5_128675 All targets in OG5_128675
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
Toxoplasma gondii flap structure-specific 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
Plasmodium yoelii XPG I-region, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128675 All targets in OG5_128675
Cryptosporidium hominis flap endonuclease 1 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
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
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
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
Brugia malayi 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
Theileria parva DNA repair protein rad2, putative Get druggable targets OG5_128675 All targets in OG5_128675
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
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0044 1 1
Brugia malayi Flap endonuclease-1 0.0038 0.5143 1
Plasmodium falciparum DNA repair protein RAD2, putative 0.0044 1 1
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0044 1 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0038 0.5143 0.5
Trichomonas vaginalis flap endonuclease-1, putative 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0038 0.5143 0.5
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0044 1 1
Entamoeba histolytica DNA-repair protein, putative 0.0044 1 1
Plasmodium vivax DNA repair protein RAD2, putative 0.0044 1 1
Giardia lamblia Flap structure-specific endonuclease 0.0038 0.5143 0.5
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0038 0.5143 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.36 uM Concentration required for 50% inhibition of Flap endonuclease-1 ChEMBL. 15341951
IC50 (binding) = 1.36 uM Concentration required for 50% inhibition of Flap endonuclease-1 ChEMBL. 15341951
IC50 (binding) = 1.59 uM Concentration required for 50% inhibition of Xeroderma pigmentosum G ChEMBL. 15341951
IC50 (binding) = 1.59 uM Concentration required for 50% inhibition of Xeroderma pigmentosum G ChEMBL. 15341951

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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