Detailed information for compound 2076271

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 569.469 | Formula: C24H26F7N3O5
  • H donors: 2 H acceptors: 5 LogP: 2.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Fc1ccc(cc1)CN1CCC2(CC1)OCCN(C2)c1ccccn1
  • InChi: 1S/C20H24FN3O.2C2HF3O2/c21-18-6-4-17(5-7-18)15-23-11-8-20(9-12-23)16-24(13-14-25-20)19-3-1-2-10-22-19;2*3-2(4,5)1(6)7/h1-7,10H,8-9,11-16H2;2*(H,6,7)
  • InChiKey: VVKFFKKRAPQHQK-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 Animal haem peroxidase family protein 0.0417 0.4932 0.4932
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0267 0.2803 0.2803
Loa Loa (eye worm) thioredoxin reductase 0.0772 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Onchocerca volvulus 0.0417 0.4932 1
Onchocerca volvulus Peroxidase homolog 0.0417 0.4932 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0772 1 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Onchocerca volvulus 0.0417 0.4932 1
Loa Loa (eye worm) animal heme peroxidase 0.0417 0.4932 0.4932
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0267 0.2803 0.2803
Brugia malayi Animal haem peroxidase family protein 0.0417 0.4932 0.4932
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0267 0.2803 0.2803
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0267 0.2803 0.2803
Echinococcus multilocularis geminin 0.0205 0.1907 0.1907
Trichomonas vaginalis glutathione reductase, putative 0.0267 0.2803 1
Schistosoma mansoni peroxidasin 0.0417 0.4932 0.4932
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0267 0.2803 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0772 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0772 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Toxoplasma gondii NADPH-glutathione reductase 0.0267 0.2803 0.2803
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0267 0.2803 0.2803
Brugia malayi Animal haem peroxidase family protein 0.0417 0.4932 0.4932
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0196 0.179 0.179
Loa Loa (eye worm) animal heme peroxidase 0.0417 0.4932 0.4932
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0267 0.2803 1
Echinococcus granulosus peroxidasin 0.0417 0.4932 0.4932
Plasmodium falciparum glutathione reductase 0.0772 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0772 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1907 0.1907
Loa Loa (eye worm) glutathione reductase 0.0772 1 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Plasmodium falciparum thioredoxin reductase 0.0772 1 1
Onchocerca volvulus 0.0417 0.4932 1
Onchocerca volvulus Dual oxidase homolog 0.0417 0.4932 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0196 0.179 0.179
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0267 0.2803 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.0267 0.2803 1
Plasmodium vivax glutathione reductase, putative 0.0772 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0772 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0267 0.2803 0.2803
Onchocerca volvulus Peroxidasin homolog 0.0417 0.4932 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0267 0.2803 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0267 0.2803 0.2803
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0267 0.2803 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Brugia malayi Animal haem peroxidase family protein 0.0417 0.4932 0.4932
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0267 0.2803 0.2803
Trichomonas vaginalis mercuric reductase, putative 0.0267 0.2803 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0125 0.0125
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0267 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0267 0.2803 0.2803
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2979 0.2979
Brugia malayi follicle stimulating hormone receptor 0.028 0.2979 0.2979
Loa Loa (eye worm) animal heme peroxidase 0.0417 0.4932 0.4932
Schistosoma mansoni hypothetical protein 0.0205 0.1907 0.1907
Onchocerca volvulus Chorion peroxidase homolog 0.0417 0.4932 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Brugia malayi Animal haem peroxidase family protein 0.0417 0.4932 0.4932
Treponema pallidum NADH oxidase 0.0267 0.2803 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0267 0.2803 0.2803
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Toxoplasma gondii thioredoxin reductase 0.0772 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0267 0.2803 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0267 0.2803 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0267 0.2803 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0125 0.0125
Trypanosoma brucei trypanothione reductase 0.0772 1 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Leishmania major trypanothione reductase 0.0772 1 1
Brugia malayi Peroxidasin 0.0417 0.4932 0.4932
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0267 0.2803 0.2803
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0125 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0125 0.0125
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0267 0.2803 0.2803
Echinococcus multilocularis peroxidasin 0.0417 0.4932 0.4932
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0267 0.2803 1
Brugia malayi Blistered cuticle protein 3 0.0417 0.4932 0.4932
Plasmodium falciparum thioredoxin reductase 0.0267 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Plasmodium falciparum glutathione reductase 0.0267 0.2803 0.2803
Loa Loa (eye worm) animal heme peroxidase 0.0417 0.4932 0.4932
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0125 0.0125
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0267 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Onchocerca volvulus Peroxidasin homolog 0.0417 0.4932 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0125 0.0125
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Brugia malayi hypothetical protein 0.0417 0.4932 0.4932
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2951 0.2951
Loa Loa (eye worm) blistered cuticle protein 3 0.0417 0.4932 0.4932
Brugia malayi Thioredoxin reductase 0.0772 1 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0267 0.2803 0.2803
Echinococcus granulosus geminin 0.0205 0.1907 0.1907
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0267 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0417 0.4932 0.4932
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0125 0.0125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0267 0.2803 0.2803
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0267 0.2803 1
Schistosoma mansoni peroxidasin 0.0417 0.4932 0.4932
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0125 0.0125
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0267 0.2803 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0267 0.2803 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0267 0.2803 0.2803
Onchocerca volvulus Peroxidase homolog 0.0417 0.4932 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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