Detailed information for compound 697215

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.367 | Formula: C21H17F3N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)Cn1cc(ccc1=O)C(=O)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C21H17F3N2O2/c1-14-4-2-5-15(10-14)12-26-13-16(8-9-19(26)27)20(28)25-18-7-3-6-17(11-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,28)
  • InChiKey: ICOQNKABFSWGDX-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
Trypanosoma brucei trypanothione reductase 0.004 0.2529 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0014 0.0312 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0312 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.6874 0.8837
Entamoeba histolytica hypothetical protein 0.0035 0.2108 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.7738 1
Schistosoma mansoni hypothetical protein 0.0035 0.2108 0.1853
Brugia malayi hypothetical protein 0.0035 0.2108 0.8335
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2108 0.7938
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.2574 1
Leishmania major trypanothione reductase 0.004 0.2529 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2108 0.7938
Plasmodium falciparum thioredoxin reductase 0.004 0.2529 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0.0312 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.6874 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.004 0.2529 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.2108 0.5
Brugia malayi glutathione reductase 0.004 0.2529 1
Entamoeba histolytica hypothetical protein 0.0035 0.2108 0.5
Plasmodium vivax thioredoxin reductase, putative 0.004 0.2529 1
Treponema pallidum NADH oxidase 0.0014 0.0312 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.2574 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.2529 0.2985
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.6874 0.8837
Loa Loa (eye worm) glutathione reductase 0.004 0.2529 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2108 0.1853
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0.0312 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0014 0.0312 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0312 0.5
Plasmodium vivax glutathione reductase, putative 0.004 0.2529 1
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.2529 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0312 0.1234
Toxoplasma gondii thioredoxin reductase 0.004 0.2529 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.6874 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0014 0.0312 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0312 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.6874 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.7738 1
Brugia malayi Thioredoxin reductase 0.004 0.2529 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.7738 1
Mycobacterium tuberculosis Probable reductase 0.0091 0.6874 0.8837
Entamoeba histolytica hypothetical protein 0.0035 0.2108 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.7738 1
Plasmodium falciparum glutathione reductase 0.004 0.2529 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0014 0.0312 0.5

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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