Detailed information for compound 1526438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 170.116 | Formula: C7H4F2N2O
  • H donors: 2 H acceptors: 2 LogP: 1.73 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1F)[nH]nc2O
  • InChi: 1S/C7H4F2N2O/c8-4-2-1-3-6(5(4)9)10-11-7(3)12/h1-2H,(H2,10,11,12)
  • InChiKey: KNDFQLVRSCUYRF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.223 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.223 0.2202
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0036 0.0036
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Onchocerca volvulus 0.002 0.2033 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0036 0.0036
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.223 0.2202
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0036 0.0036
Brugia malayi hypothetical protein 0.002 0.2033 0.9101
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.2033 0.2004
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0058 1 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.223 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.9552 0.955
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0085 0.0085
Schistosoma mansoni rab6-interacting 0.002 0.2033 0.2033
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0036 0.0036
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0058 1 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.223 1
Schistosoma mansoni DNA helicase recq1 0.0021 0.223 0.223
Echinococcus multilocularis RUN 0.002 0.2033 0.2004
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.2033 0.2004
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0085 0.0418
Schistosoma mansoni rab6-interacting 0.002 0.2033 0.2033
Schistosoma mansoni DNA helicase recq5 0.0021 0.223 0.223
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.223 0.2163
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.2033 0.2004
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.2033 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.223 0.2202
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0058 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.223 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0085 0.0225
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0058 1 1
Schistosoma mansoni hypothetical protein 0.002 0.2033 0.2033
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0058 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0058 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0036 0.0036
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.223 0.2202
Schistosoma mansoni thyroid hormone receptor 0.001 0.0036 0.0036
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0058 1 1
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.2033 0.2004
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0058 1 1
Schistosoma mansoni loxhd1 0.002 0.2033 0.2033
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.9552 0.955
Schistosoma mansoni hypothetical protein 0.0058 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2033 0.9101
Brugia malayi hypothetical protein 0.002 0.2033 0.9101
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.223 1
Onchocerca volvulus 0.002 0.2033 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.223 0.2202
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0085 0.0085
Loa Loa (eye worm) doublecortin family protein 0.002 0.2033 0.9101
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0036 0.0036
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0058 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0058 1 1
Treponema pallidum ATP-dependent DNA helicase 0.0011 0.0085 0.5
Entamoeba histolytica recQ family helicase, putative 0.0021 0.223 0.223
Entamoeba histolytica DNA repair and recombination protein, putative 0.0058 1 1
Schistosoma mansoni lipoxygenase 0.002 0.2033 0.2033
Brugia malayi Doublecortin family protein 0.002 0.2033 0.9101
Schistosoma mansoni thyroid hormone receptor 0.001 0.0036 0.0036
Schistosoma mansoni lipoxygenase 0.0056 0.9552 0.9552
Loa Loa (eye worm) hypothetical protein 0.0021 0.223 1
Schistosoma mansoni polycystin 1-related 0.002 0.2033 0.2033
Echinococcus granulosus RUN 0.002 0.2033 0.2004
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0085 0.0381
Echinococcus multilocularis bloom syndrome protein 0.0021 0.223 0.2202
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0036 0.0036
Giardia lamblia Rrm3p helicase 0.0058 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0036 0.0036
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.2033 0.2004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0011 0.0085 0.0225
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.2033 0.2004
Loa Loa (eye worm) hypothetical protein 0.002 0.2033 0.9101
Schistosoma mansoni coup transcription factor 0.001 0.0036 0.0036

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 57.1 % Inhibition of nNOS in LPS-stimulated Wistar rat striata assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion at 1 mM by liquid scintillation counting ChEMBL. 21334118
Inhibition (binding) = 89.1 % Inhibition of iNOS in LPS-stimulated Wistar rat lung assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion at 1 mM by liquid scintillation counting ChEMBL. 21334118

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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