Detailed information for compound 1526437

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: Fc1cc(F)c2c(c1)[nH]nc2O
  • InChi: 1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-11-7(6)12/h1-2H,(H2,10,11,12)
  • InChiKey: JXVQYYUSQKIJNC-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
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0084 0.0228
Brugia malayi Doublecortin family protein 0.0019 0.2135 0.9649
Schistosoma mansoni rab6-interacting 0.0019 0.2135 0.2135
Entamoeba histolytica recQ family helicase, putative 0.002 0.2211 0.2211
Schistosoma mansoni hypothetical protein 0.0055 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0035 0.0035
Entamoeba histolytica hypothetical protein, conserved 0.0055 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.9805 0.9804
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0084 0.0084
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0035 0.0035
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.2135 0.2107
Loa Loa (eye worm) hypothetical protein 0.0019 0.2135 0.9649
Schistosoma mansoni coup transcription factor 0.001 0.0035 0.0035
Schistosoma mansoni polycystin 1-related 0.0019 0.2135 0.2135
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0035 0.0035
Schistosoma mansoni lipoxygenase 0.0055 0.9805 0.9805
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0035 0.0035
Echinococcus multilocularis bloom syndrome protein 0.002 0.2211 0.2184
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0035 0.0035
Echinococcus granulosus RUN 0.0019 0.2135 0.2107
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.2135 0.2107
Loa Loa (eye worm) hypothetical protein 0.002 0.2211 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.2211 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0055 1 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0055 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.2135 0.2135
Giardia lamblia Rrm3p helicase 0.0055 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.2135 0.2107
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.2211 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0055 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0035 0.0035
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.2211 0.2184
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0084 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0055 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0035 0.0035
Loa Loa (eye worm) doublecortin family protein 0.0019 0.2135 0.9649
Schistosoma mansoni nuclear hormone receptor 0.001 0.0035 0.0035
Echinococcus granulosus bloom syndrome protein 0.002 0.2211 0.2184
Onchocerca volvulus 0.0019 0.2135 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.2211 1
Brugia malayi hypothetical protein 0.0019 0.2135 0.9649
Loa Loa (eye worm) hypothetical protein 0.0019 0.2135 0.9649
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.2211 0.2184
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0055 1 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.2135 1
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.2135 0.2107
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.2211 0.2145
Schistosoma mansoni DNA helicase recq5 0.002 0.2211 0.2211
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0055 1 1
Schistosoma mansoni lipoxygenase 0.0019 0.2135 0.2135
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0055 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0035 0.0035
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.2211 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.2211 0.2184
Loa Loa (eye worm) hypothetical protein 0.001 0.0084 0.0228
Onchocerca volvulus 0.0019 0.2135 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.2211 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0084 0.0381
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.2211 0.2184
Loa Loa (eye worm) RecQ helicase 0.002 0.2211 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.2211 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0035 0.0035
Schistosoma mansoni loxhd1 0.0019 0.2135 0.2135
Echinococcus multilocularis RUN 0.0019 0.2135 0.2107
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.2135 0.2107
Schistosoma mansoni DNA helicase recq1 0.002 0.2211 0.2211
Brugia malayi Bloom's syndrome protein homolog 0.002 0.2211 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.9805 0.9804
Entamoeba histolytica recQ family DNA helicase 0.001 0.0084 0.0084
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0084 0.0394
Schistosoma mansoni rab6-interacting 0.0019 0.2135 0.2135
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0035 0.0035
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0055 1 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.2211 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.2135 0.2107
Trichomonas vaginalis conserved hypothetical protein 0.0055 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0035 0.0035
Brugia malayi hypothetical protein 0.0019 0.2135 0.9649

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 11.1 % 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) = 48.1 % 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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