Detailed information for compound 1777555

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.438 | Formula: C19H13F2NO3S2
  • H donors: 1 H acceptors: 3 LogP: 4.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H](N1C(=S)S/C(=C\c2ccc(c(c2)F)F)/C1=O)Cc1ccccc1
  • InChi: 1S/C19H13F2NO3S2/c20-13-7-6-12(8-14(13)21)10-16-17(23)22(19(26)27-16)15(18(24)25)9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,24,25)/b16-10-/t15-/m0/s1
  • InChiKey: BUHHENSURBKQGD-HEUOVEHFSA-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
Loa Loa (eye worm) tubulin beta-4 chain 0.0014 0.1033 0.1033
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0023 0.2586 0.2586
Plasmodium falciparum glutathione reductase 0.0067 1 1
Toxoplasma gondii thioredoxin reductase 0.0067 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0014 0.1033 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Trypanosoma brucei epsilon tubulin 0.0014 0.1033 0.1033
Trichomonas vaginalis tubulin epsilon chain, putative 0.0014 0.1033 0.3993
Toxoplasma gondii NADPH-glutathione reductase 0.0023 0.2586 0.1732
Plasmodium vivax thioredoxin reductase, putative 0.0067 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0014 0.1033 0.1033
Trypanosoma brucei epsilon tubulin 0.0014 0.1033 0.1033
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0023 0.2586 0.1732
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0023 0.2586 0.2586
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0014 0.1033 0.3993
Trypanosoma brucei alpha tubulin 0.0014 0.1033 0.1033
Brugia malayi Tubulin alpha chain 0.0014 0.1033 0.1033
Plasmodium vivax glutathione reductase, putative 0.0067 1 1
Trypanosoma brucei beta tubulin 0.0014 0.1033 0.1033
Entamoeba histolytica tubulin gamma chain 0.0014 0.1033 0.5
Onchocerca volvulus 0.0008 0 0.5
Entamoeba histolytica tubulin family protein 0.0014 0.1033 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0023 0.2586 1
Trypanosoma cruzi trypanothione reductase, putative 0.0023 0.2586 0.1732
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Loa Loa (eye worm) BEN-1 protein 0.0014 0.1033 0.1033
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0023 0.2586 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0023 0.2586 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0017 0.1542 0.1542
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0023 0.2586 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0023 0.2586 0.1732
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0023 0.2586 0.1732
Loa Loa (eye worm) alpha-tubulin 0.0014 0.1033 0.1033
Loa Loa (eye worm) tubulin gamma chain 0.0014 0.1033 0.1033
Trypanosoma brucei alpha tubulin 0.0014 0.1033 0.1033
Loa Loa (eye worm) tubulin alpha-2 chain 0.0014 0.1033 0.1033
Loa Loa (eye worm) thioredoxin reductase 0.0067 1 1
Entamoeba histolytica tubulin family protein 0.0014 0.1033 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0023 0.2586 0.1732
Brugia malayi Tubulin gamma chain 0.0014 0.1033 0.1033
Trypanosoma brucei alpha tubulin 0.0014 0.1033 0.1033
Brugia malayi Tubulin alpha-2 chain 0.0014 0.1033 0.1033
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0023 0.2586 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0023 0.2586 0.1732
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0023 0.2586 0.1732
Loa Loa (eye worm) beta-tubulin 0.0014 0.1033 0.1033
Plasmodium falciparum thioredoxin reductase 0.0067 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0023 0.2586 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0023 0.2586 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Plasmodium falciparum glutathione reductase 0.0023 0.2586 0.1732
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0023 0.2586 0.1732
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Trypanosoma brucei beta tubulin 0.0014 0.1033 0.1033
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0017 0.1542 0.1542
Entamoeba histolytica tubulin alpha chain, putative 0.0014 0.1033 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0023 0.2586 0.1732
Trichomonas vaginalis tubulin alpha chain, putative 0.0014 0.1033 0.3993
Trichomonas vaginalis tubulin alpha chain, putative 0.0014 0.1033 0.3993
Trypanosoma brucei trypanothione reductase 0.0067 1 1
Brugia malayi alpha-tubulin 0.0014 0.1033 0.1033
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0023 0.2586 0.2586
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Brugia malayi Tubulin beta-1 chain 0.0014 0.1033 0.1033
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0023 0.2586 0.2586
Loa Loa (eye worm) tubulin alpha chain 0.0014 0.1033 0.1033
Brugia malayi Tubulin alpha-2 chain 0.0014 0.1033 0.1033
Loa Loa (eye worm) tubulin alpha chain 0.0014 0.1033 0.1033
Trichomonas vaginalis tubulin gamma chain, putative 0.0014 0.1033 0.3993
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Trichomonas vaginalis tubulin epsilon chain, putative 0.0014 0.1033 0.3993
Loa Loa (eye worm) glutathione reductase 0.0067 1 1
Brugia malayi tubulin alpha chain - mouse 0.0014 0.1033 0.1033
Plasmodium falciparum thioredoxin reductase 0.0023 0.2586 0.1732
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0067 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Trypanosoma brucei beta tubulin 0.0014 0.1033 0.1033
Trypanosoma brucei epsilon tubulin 0.0014 0.1033 0.1033
Trypanosoma brucei beta tubulin 0.0014 0.1033 0.1033
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0023 0.2586 0.1732
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0023 0.2586 0.1732
Trypanosoma brucei alpha tubulin 0.0014 0.1033 0.1033
Loa Loa (eye worm) tubulin beta-2A chain 0.0014 0.1033 0.1033
Trypanosoma brucei beta tubulin 0.0014 0.1033 0.1033
Trichomonas vaginalis tubulin epsilon chain, putative 0.0014 0.1033 0.3993
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0023 0.2586 0.1732
Trichomonas vaginalis tubulin gamma chain, putative 0.0014 0.1033 0.3993
Loa Loa (eye worm) hypothetical protein 0.0014 0.1033 0.1033
Trypanosoma cruzi trypanothione reductase, putative 0.0067 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0023 0.2586 0.5
Brugia malayi Thioredoxin reductase 0.0067 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Trichomonas vaginalis tubulin, putative 0.0014 0.1033 0.3993
Trichomonas vaginalis tubulin epsilon chain, putative 0.0014 0.1033 0.3993
Loa Loa (eye worm) BEN-1 protein 0.0014 0.1033 0.1033
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0023 0.2586 0.2586
Trichomonas vaginalis mercuric reductase, putative 0.0023 0.2586 1
Treponema pallidum NADH oxidase 0.0023 0.2586 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0023 0.2586 0.1732
Echinococcus multilocularis thioredoxin glutathione reductase 0.0067 1 1
Loa Loa (eye worm) tubulin beta chain 0.0014 0.1033 0.1033
Brugia malayi beta-tubulin, identical 0.0014 0.1033 0.1033
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.1033 0.3993
Trypanosoma brucei tubulin gamma chain 0.0014 0.1033 0.1033
Leishmania major trypanothione reductase 0.0067 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0014 0.1033 0.3993
Brugia malayi tubulin alpha-2 chain 0.0014 0.1033 0.1033
Echinococcus granulosus thioredoxin glutathione reductase 0.0067 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.2586 0.1732
Loa Loa (eye worm) alpha-tubulin 0.0014 0.1033 0.1033
Giardia lamblia NADH oxidase lateral transfer candidate 0.0023 0.2586 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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