Detailed information for compound 2092986

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 246.219 | Formula: C12H10N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1nc([nH]c(=O)c1O)c1ccccc1
  • InChi: 1S/C12H10N2O4/c1-18-12(17)8-9(15)11(16)14-10(13-8)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,14,16)
  • InChiKey: BRHZBRCRKPOREU-UHFFFAOYSA-N  

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 excision repair cross-complementation group 4 References
Homo sapiens excision repair cross-complementation group 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis hypothetical protein Get druggable targets OG5_128697 All targets in OG5_128697
Candida albicans similar to ERCC1, known complex with ERCC4 protein Get druggable targets OG5_128697 All targets in OG5_128697
Brugia malayi Helix-hairpin-helix motif family protein Get druggable targets OG5_128697 All targets in OG5_128697
Candida albicans UV endonuclease Get druggable targets OG5_127977 All targets in OG5_127977
Candida albicans UV endonuclease Get druggable targets OG5_127977 All targets in OG5_127977
Cryptosporidium parvum ERCC1 excision repair 1; C-terminal HhH domain Get druggable targets OG5_128697 All targets in OG5_128697
Cryptosporidium parvum RAD1, NH2 terminal ERCC4-like helicase domain Get druggable targets OG5_127977 All targets in OG5_127977
Echinococcus granulosus dna repair endonuclease xpf Get druggable targets OG5_127977 All targets in OG5_127977
Theileria parva DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative Get druggable targets OG5_128697 All targets in OG5_128697
Schistosoma japonicum ko:K01175 excision repair cross-complementing rodent repair deficiency, complementation group 4 [EC:3.1.-.-], putative Get druggable targets OG5_127977 All targets in OG5_127977
Trichomonas vaginalis nuclease Rad1 Get druggable targets OG5_127977 All targets in OG5_127977
Candida albicans similar to ERCC1, known complex with ERCC4 protein Get druggable targets OG5_128697 All targets in OG5_128697
Cryptosporidium hominis UV endonuclease; Rad1p Get druggable targets OG5_127977 All targets in OG5_127977
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein Get druggable targets OG5_128697 All targets in OG5_128697
Schistosoma japonicum DNA excision repair protein ERCC-1, putative Get druggable targets OG5_128697 All targets in OG5_128697
Echinococcus multilocularis dna repair endonuclease xpf Get druggable targets OG5_127977 All targets in OG5_127977
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative Get druggable targets OG5_128697 All targets in OG5_128697
Schistosoma japonicum ko:K01175 excision repair cross-complementing rodent repair deficiency, complementation group 4 [EC:3.1.-.-], putative Get druggable targets OG5_127977 All targets in OG5_127977
Babesia bovis DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Plasmodium knowlesi DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Neospora caninum DNA repair protein rad10 domain-containing protein, putative Get druggable targets OG5_128697 All targets in OG5_128697
Plasmodium yoelii DNA repair endonuclease, subunit Get druggable targets OG5_127977 All targets in OG5_127977
Brugia malayi ERCC4 domain containing protein Get druggable targets OG5_127977 All targets in OG5_127977
Schistosoma mansoni excision repair cross-complementing 1 ercc1 Get druggable targets OG5_128697 All targets in OG5_128697
Theileria parva hypothetical protein Get druggable targets OG5_128697 All targets in OG5_128697
Toxoplasma gondii DNA repair protein rad10 subfamily protein Get druggable targets OG5_128697 All targets in OG5_128697
Entamoeba histolytica DNA excision repair protein, putative Get druggable targets OG5_128697 All targets in OG5_128697
Plasmodium berghei DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Loa Loa (eye worm) ERCC4 domain-containing protein Get druggable targets OG5_127977 All targets in OG5_127977
Entamoeba histolytica DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Schistosoma mansoni DNA repair endonuclease xp-f / mei-9 / rad1 Get druggable targets OG5_127977 All targets in OG5_127977
Plasmodium knowlesi ERCC1 nucleotide excision repair protein, putative Get druggable targets OG5_128697 All targets in OG5_128697
Toxoplasma gondii ERCC4 domain-containing protein Get druggable targets OG5_127977 All targets in OG5_127977
Plasmodium falciparum DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Candida albicans UV endonuclease Get druggable targets OG5_127977 All targets in OG5_127977
Echinococcus multilocularis DNA excision repair protein ERCC 1 Get druggable targets OG5_128697 All targets in OG5_128697
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative Get druggable targets OG5_128697 All targets in OG5_128697
Echinococcus granulosus DNA excision repair protein ERCC 1 Get druggable targets OG5_128697 All targets in OG5_128697
Candida albicans UV endonuclease Get druggable targets OG5_127977 All targets in OG5_127977
Neospora caninum Protein C47D12.8, partially confirmed by transcript evidence, related Get druggable targets OG5_127977 All targets in OG5_127977
Plasmodium berghei ERCC1 nucleotide excision repair protein, putative Get druggable targets OG5_128697 All targets in OG5_128697
Cryptosporidium parvum ERCC4/XP-G-type excision repair nuclease Get druggable targets OG5_127977 All targets in OG5_127977
Plasmodium vivax DNA repair endonuclease, putative Get druggable targets OG5_127977 All targets in OG5_127977
Cryptosporidium hominis excision repair cross-complementing rodent repair deficiency,complementation group 1 Get druggable targets OG5_128697 All targets in OG5_128697
Plasmodium yoelii DNA repair protein rad10, putative Get druggable targets OG5_128697 All targets in OG5_128697

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
Brugia malayi ERCC4 domain containing protein 0.0046 0.4902 1
Trypanosoma brucei DNA repair protein, putative 0.0028 0 0.5
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative 0.0065 1 1
Trypanosoma cruzi DNA repair protein, putative 0.0028 0 0.5
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative 0.0065 1 1
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative 0.0065 1 1
Entamoeba histolytica DNA excision repair protein, putative 0.0065 1 1
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0065 1 1
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0065 1 1
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein 0.0065 1 1
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0065 1 1
Trypanosoma cruzi DNA repair protein, putative 0.0028 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16.4 uM Inhibition of ERCC1-XPF (unknown origin) by high-throughput fluorescence based in-vitro endonuclease assay ChEMBL. 26321360
IC50 (binding) = 53.4 uM Inhibition of FEN1 (unknown origin) ChEMBL. 26321360
IC50 (binding) > 100 uM Inhibition of DNAse1 (unknown origin) ChEMBL. 26321360

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.