Detailed information for compound 983522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.311 | Formula: C17H15FN2O3
  • H donors: 1 H acceptors: 2 LogP: 2.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCCOc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)N
  • InChi: 1S/C17H15FN2O3/c18-8-1-9-23-13-6-7-14-15(10-13)17(22)20(16(14)21)12-4-2-11(19)3-5-12/h2-7,10H,1,8-9,19H2
  • InChiKey: GZRLKVSPEXOBKP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 dihydrolipoamide dehydrogenase, point mutation 0.0067 0.2803 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0067 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0255 0.0908
Loa Loa (eye worm) glutathione reductase 0.0194 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.2803 0.2803
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0255 0.0255
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0255 0.0255
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0067 0.2803 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0067 0.2803 0.2803
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0255 1
Schistosoma mansoni cytochrome c 0.0033 0.0881 0.0881
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0255 0.0255
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0067 0.2803 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.2803 0.2803
Echinococcus multilocularis cytochrome c 0.0033 0.0881 0.0881
Loa Loa (eye worm) cytochrome c type-1 0.0033 0.0881 0.0881
Brugia malayi Cytochrome c type-1 0.0033 0.0881 0.0881
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.2803 0.2803
Plasmodium falciparum glutathione reductase 0.0067 0.2803 0.2803
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0255 0.0255
Trypanosoma brucei trypanothione reductase 0.0194 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.2803 0.2803
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0255 0.0908
Plasmodium vivax thioredoxin reductase, putative 0.0194 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0067 0.2803 0.2803
Brugia malayi Thioredoxin reductase 0.0194 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0067 0.2803 0.2803
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.0033 0.0881 0.3143
Giardia lamblia NADH oxidase lateral transfer candidate 0.0067 0.2803 1
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi cytochrome c, putative 0.0033 0.0881 0.0881
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0067 0.2803 0.2803
Plasmodium falciparum cytochrome c, putative 0.0033 0.0881 0.0881
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0255 0.0908
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0255 0.0255
Schistosoma mansoni ap endonuclease 0.0022 0.0255 0.0255
Plasmodium vivax cytochrome c, putative 0.0033 0.0881 0.0881
Trypanosoma brucei cytochrome c 0.0033 0.0881 0.0881
Plasmodium vivax glutathione reductase, putative 0.0194 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0194 1 1
Leishmania major cytochrome c, putative 0.0033 0.0881 0.0881
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0255 0.0255
Leishmania major cytochrome c, putative 0.0033 0.0881 0.0881
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.2803 0.2803
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0049 0.179 0.179
Trichomonas vaginalis mercuric reductase, putative 0.0067 0.2803 1
Plasmodium falciparum glutathione reductase 0.0194 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0067 0.2803 1
Trichomonas vaginalis glutathione reductase, putative 0.0067 0.2803 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0255 0.0255
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0067 0.2803 0.2803
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0067 0.2803 0.2803
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0255 0.0255
Echinococcus granulosus cytochrome c 0.0033 0.0881 0.0881
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0255 0.0255
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0049 0.179 0.179
Plasmodium falciparum thioredoxin reductase 0.0067 0.2803 0.2803
Toxoplasma gondii NADPH-glutathione reductase 0.0067 0.2803 0.2803
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0255 0.0255
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0067 0.2803 0.2803
Leishmania major trypanothione reductase 0.0194 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0067 0.2803 0.2803
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0067 0.2803 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0194 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0067 0.2803 0.2803
Schistosoma mansoni ap endonuclease 0.0022 0.0255 0.0255
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0255 0.0908
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.2803 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0067 0.2803 0.2803
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0067 0.2803 0.2803
Toxoplasma gondii exonuclease III APE 0.0022 0.0255 0.0255
Trypanosoma cruzi cytochrome c, putative 0.0033 0.0881 0.0881
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0067 0.2803 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0067 0.2803 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0255 0.0255
Toxoplasma gondii thioredoxin reductase 0.0194 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0255 0.0908
Toxoplasma gondii cytochrome c, putative 0.0033 0.0881 0.0881
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Plasmodium falciparum thioredoxin reductase 0.0194 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0067 0.2803 0.2803
Loa Loa (eye worm) thioredoxin reductase 0.0194 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0067 0.2803 0.2803
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0194 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0067 0.2803 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0255 0.0908
Echinococcus multilocularis thioredoxin glutathione reductase 0.0194 1 1
Treponema pallidum NADH oxidase 0.0067 0.2803 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.2803 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.2803 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.