Detailed information for compound 1017556

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.964 | Formula: C12H5Br2F7O2
  • H donors: 1 H acceptors: 2 LogP: 5.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cc(Br)cc(c1)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/O
  • InChi: 1S/C12H5Br2F7O2/c13-6-1-5(2-7(14)3-6)8(22)4-9(23)10(15,16)11(17,18)12(19,20)21/h1-4,22H/b8-4-
  • InChiKey: KMFDDWUGZLDOHX-YWEYNIOJSA-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
Loa Loa (eye worm) glutathione reductase 0.0038 0.1421 0.4626
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.6853 0.6853
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3072 0.3072
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3072 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3072 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.5179 0.7488
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.4556 0.6553
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1191 0.3877
Plasmodium vivax glutathione reductase, putative 0.0038 0.1421 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.4556 0.6553
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3072 0.3072
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.019 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.019 0.062
Schistosoma mansoni ap endonuclease 0.0019 0.019 0.019
Echinococcus multilocularis geminin 0.0169 1 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.3072 0.3072
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3072 0.3072
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.4556 0.6553
Brugia malayi Thioredoxin reductase 0.0038 0.1421 0.4626
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.6853 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2218 0.7219
Schistosoma mansoni hypothetical protein 0.0169 1 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.1421 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.6853 1
Schistosoma mansoni hypothetical protein 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.2218 0.7219
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1454 0.1454
Loa Loa (eye worm) hypothetical protein 0.0034 0.1191 0.3877
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.4556 0.6553
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2218 0.7219
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.1421 0.4626
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.6853 0.6853
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.5179 0.7488
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.019 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3072 0.3072
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.6853 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.1421 0.1847
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.019 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.1421 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.1421 0.1847
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.6853 0.6853
Plasmodium falciparum glutathione reductase 0.0038 0.1421 1
Leishmania major trypanothione reductase 0.0038 0.1421 0.1847
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3072 0.3072
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.019 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3072 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.5179 1
Brugia malayi glutathione reductase 0.0038 0.1421 0.4626
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3072 0.3072
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0906 0.2949
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.019 0.062
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2218 0.7219
Mycobacterium tuberculosis Probable reductase 0.0086 0.4556 0.6553
Brugia malayi RNA binding protein 0.0063 0.3072 1
Brugia malayi Cytochrome P450 family protein 0.003 0.0906 0.2949
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.4556 0.6553
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.6853 1
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.6853 1
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.1421 1
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.6853 0.6853
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1454 0.1454
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.5179 0.7488
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.019 0.019
Schistosoma mansoni ap endonuclease 0.0019 0.019 0.019
Loa Loa (eye worm) RNA binding protein 0.0063 0.3072 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.019 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.6853 1
Brugia malayi TAR-binding protein 0.0063 0.3072 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.019 0.019
Schistosoma mansoni hypothetical protein 0.0034 0.1191 0.1191
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.019 0.5
Trypanosoma brucei trypanothione reductase 0.0038 0.1421 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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