Detailed information for compound 1727232

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.342 | Formula: C11H11F3N2O2S2
  • H donors: 1 H acceptors: 2 LogP: 3.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC1=NS(=O)(=O)c2c(S1)ccc(c2)C(F)(F)F)C
  • InChi: 1S/C11H11F3N2O2S2/c1-6(2)15-10-16-20(17,18)9-5-7(11(12,13)14)3-4-8(9)19-10/h3-6H,1-2H3,(H,15,16)
  • InChiKey: AAOJIVJXKNLYII-UHFFFAOYSA-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
Plasmodium falciparum glutathione reductase 0.0085 0.2535 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0086 0.2556 0.8043
Plasmodium falciparum thioredoxin reductase 0.0085 0.2535 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1211 0.3953
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.003 0.0313 0.5
Echinococcus multilocularis peregrin 0.003 0.0346 0.0118
Mycobacterium tuberculosis Probable reductase 0.0195 0.6891 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0085 0.2535 0.2985
Brugia malayi PHD-finger family protein 0.003 0.0346 0.1115
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0601 0.0297
Leishmania major trypanothione reductase 0.0085 0.2535 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0346 0.0148
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0217 0.7757 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.003 0.0313 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.1636 0.5892
Brugia malayi glutathione reductase 0.0085 0.2535 0.8172
Schistosoma mansoni jumonji domain containing protein 0.0079 0.2286 0.2037
Onchocerca volvulus Alhambra homolog 0.003 0.0346 0.5
Brugia malayi jmjC domain containing protein 0.0037 0.0601 0.1936
Toxoplasma gondii thioredoxin reductase 0.0085 0.2535 1
Echinococcus granulosus peregrin 0.003 0.0346 0.0118
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0313 0.5
Schistosoma mansoni hypothetical protein 0.003 0.0346 0.0034
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0346 0.0118
Brugia malayi jmjC domain containing protein 0.01 0.3102 1
Trypanosoma brucei trypanothione reductase 0.0085 0.2535 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.3102 1
Trypanosoma cruzi trypanothione reductase, putative 0.0085 0.2535 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0346 0.0034
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0195 0.6891 0.8837
Mycobacterium ulcerans flavoprotein disulfide reductase 0.003 0.0313 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0085 0.2535 1
Plasmodium falciparum phd finger protein, putative 0.003 0.0346 0.0148
Treponema pallidum NADH oxidase 0.003 0.0313 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0085 0.2535 1
Brugia malayi Bromodomain containing protein 0.003 0.0346 0.1115
Loa Loa (eye worm) glutathione reductase 0.0085 0.2535 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.003 0.0313 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.003 0.0313 0.1008
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0601 0.1164
Trichomonas vaginalis glutathione reductase, putative 0.003 0.0313 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0195 0.6891 0.8837
Giardia lamblia PHD finger protein 15 0.003 0.0346 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0313 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0346 0.0148
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.3102 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0346 0.0148
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0601 0.1032
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0601 0.1032
Echinococcus multilocularis thioredoxin glutathione reductase 0.0086 0.2556 0.8043
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0195 0.6891 0.8837
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.082 0.1819
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0346 0.0118
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0217 0.7757 1
Brugia malayi Thioredoxin reductase 0.0085 0.2535 0.8172
Echinococcus granulosus jumonji domain containing protein 0.0042 0.082 0.1819
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0601 0.0297
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0217 0.7757 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0195 0.6891 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.0195 0.6891 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0217 0.7757 1
Plasmodium vivax glutathione reductase, putative 0.0085 0.2535 1
Trichomonas vaginalis mercuric reductase, putative 0.003 0.0313 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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