Detailed information for compound 424618

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 154.138 | Formula: C8H7FO2
  • H donors: 1 H acceptors: 1 LogP: 0.69 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)COC2O
  • InChi: 1S/C8H7FO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,8,10H,4H2
  • InChiKey: WWIRCACZSQDYGX-UHFFFAOYSA-N  

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 alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0062 0.0287 0.1045
Toxoplasma gondii NADPH-glutathione reductase 0.0085 0.059 0.215
Plasmodium vivax apical sushi protein, putative 0.0194 0.2058 0.6819
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0085 0.059 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.111 0.2416
Echinococcus multilocularis geminin 0.0165 0.1672 0.1672
Brugia malayi pregnancy-associated plasma protein-A 0.0194 0.2058 0.7503
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Leishmania major trypanothione reductase 0.0245 0.2743 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1568 0.1568
Onchocerca volvulus 0.0194 0.2058 1
Brugia malayi glutathione reductase 0.0245 0.2743 1
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Treponema pallidum NADH oxidase 0.0085 0.059 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0085 0.059 0.5
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0194 0.2058 0.7503
Loa Loa (eye worm) glutathione reductase 0.0245 0.2743 1
Brugia malayi Sushi domain 0.0194 0.2058 0.7503
Trichomonas vaginalis glutathione reductase, putative 0.0085 0.059 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0245 0.2743 0.2743
Loa Loa (eye worm) thioredoxin reductase 0.0245 0.2743 1
Onchocerca volvulus 0.0194 0.2058 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0186 0.1949 1
Onchocerca volvulus 0.0091 0.0674 0.3276
Plasmodium falciparum thioredoxin reductase 0.0245 0.2743 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0085 0.059 0.215
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0245 0.2743 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0186 0.1949 0.6312
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Echinococcus multilocularis c4b binding protein beta chain 0.0194 0.2058 0.2058
Onchocerca volvulus 0.0194 0.2058 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0085 0.059 0.059
Echinococcus granulosus C type lectin domian containing protein 0.0194 0.2058 0.7503
Schistosoma mansoni hypothetical protein 0.0165 0.1672 0.4078
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Mycobacterium tuberculosis Probable reductase 0.0124 0.111 0.2416
Onchocerca volvulus 0.0194 0.2058 1
Loa Loa (eye worm) hypothetical protein 0.0216 0.2351 0.857
Toxoplasma gondii thioredoxin reductase 0.0245 0.2743 1
Plasmodium falciparum apical sushi protein 0.0194 0.2058 0.6819
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.111 0.2416
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1568 0.5717
Toxoplasma gondii rhoptry neck protein RON9 0.0194 0.2058 0.7503
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Toxoplasma gondii rhoptry neck protein RON1 0.0194 0.2058 0.7503
Trypanosoma brucei trypanothione reductase 0.0245 0.2743 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.1273 0.3103
Schistosoma mansoni hypothetical protein 0.0165 0.1672 0.4078
Echinococcus granulosus thioredoxin glutathione reductase 0.0245 0.2743 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0085 0.059 0.5
Onchocerca volvulus 0.0194 0.2058 1
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Echinococcus multilocularis C type lectin domian containing protein 0.0194 0.2058 0.2058
Echinococcus granulosus geminin 0.0165 0.1672 0.6098
Trypanosoma cruzi trypanothione reductase, putative 0.0245 0.2743 1
Onchocerca volvulus 0.0194 0.2058 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0062 0.0287 0.1045
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Loa Loa (eye worm) hypothetical protein 0.0235 0.261 0.9515
Plasmodium vivax thioredoxin reductase, putative 0.0245 0.2743 1
Onchocerca volvulus 0.0194 0.2058 1
Plasmodium falciparum glutathione reductase 0.0245 0.2743 1
Brugia malayi GCC2 and GCC3 family protein 0.0235 0.261 0.9515
Onchocerca volvulus 0.0194 0.2058 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1568 0.5717
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Brugia malayi Thioredoxin reductase 0.0245 0.2743 1
Schistosoma mansoni c4b-binding protein beta chain 0.0194 0.2058 0.5017
Echinococcus granulosus c4b binding protein beta chain 0.0194 0.2058 0.7503
Plasmodium vivax glutathione reductase, putative 0.0245 0.2743 1
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1568 0.1568
Giardia lamblia NADH oxidase lateral transfer candidate 0.0085 0.059 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.111 0.2416
Schistosoma mansoni alpha-glucosidase 0.0136 0.1273 0.3103
Brugia malayi hypothetical protein 0.0194 0.2058 0.7503
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0186 0.1949 0.6312
Onchocerca volvulus 0.0194 0.2058 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.111 0.2416
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0085 0.059 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0186 0.1949 0.6312
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.111 0.2416
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0085 0.059 0.1438
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0085 0.059 0.5
Onchocerca volvulus 0.0194 0.2058 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0085 0.059 0.5
Loa Loa (eye worm) hypothetical protein 0.0194 0.2058 0.7503
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0085 0.059 0.215
Trichomonas vaginalis mercuric reductase, putative 0.0085 0.059 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1568 0.5717
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0085 0.059 0.215

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation ChEMBL. 17588934
IC50 (binding) > 100 uM Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation ChEMBL. 17588934

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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